data_2kxk_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 2kxk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -70.0 -21.01 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.23 -28.72 17.63 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.995 0.816 . . . . 0.0 112.759 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.58 -35.42 80.93 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -169.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.22 -12.64 17.86 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.8 t -83.27 -41.76 17.95 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.392 -0.817 . . . . 0.0 111.42 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -94.13 -19.06 21.15 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.146 1.379 . . . . 0.0 113.955 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -142.67 -174.75 4.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.407 1.883 . . . . 0.0 110.859 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 pt -88.76 151.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.259 1.023 . . . . 0.0 112.847 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 p -141.66 152.24 43.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -122.74 174.36 7.16 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.742 2.017 . . . . 0.0 110.971 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.39 -36.74 66.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.089 -1.007 . . . . 0.0 111.769 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -64.59 -25.5 67.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.53 1.132 . . . . 0.0 113.371 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -85.14 -33.69 22.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.53 1.132 . . . . 0.0 111.568 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.82 -36.64 84.56 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.477 1.035 . . . . 0.0 111.888 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.16 -11.98 17.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 174.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -67.95 -24.64 65.19 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.128 -0.982 . . . . 0.0 112.566 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.72 -6.42 23.73 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.805 1.242 . . . . 0.0 113.453 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.546 0.821 0 C-N-CA 125.274 1.43 . . . . 0.0 111.738 168.107 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 113.331 0.864 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -111.82 146.22 38.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.805 1.642 . . . . 0.0 109.652 168.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -141.22 138.19 33.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.064 1.746 . . . . 0.0 109.649 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.86 156.08 46.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.926 0.89 . . . . 0.0 110.889 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.34 -136.38 50.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.47 0.557 . . . . 0.0 113.497 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.7 p -63.4 -23.83 67.58 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -67.29 -37.74 83.88 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.35 0.977 . . . . 0.0 111.528 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.8 -38.85 70.2 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.355 1.062 . . . . 0.0 111.484 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.59 -43.09 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-O 118.902 -0.57 . . . . 0.0 110.998 171.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.29 -39.92 93.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.775 1.17 . . . . 0.0 112.522 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.0 89.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.196 -0.94 . . . . 0.0 111.881 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.94 -35.41 80.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.489 0.716 . . . . 0.0 112.291 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.85 -38.78 92.16 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.856 -1.153 . . . . 0.0 111.225 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.88 -35.78 59.75 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.882 -1.136 . . . . 0.0 113.112 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.89 -30.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.071 0.948 . . . . 0.0 111.927 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -135.42 -12.11 2.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 -169.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.08 -18.49 54.91 Favored Glycine 0 N--CA 1.479 1.515 0 CA-C-N 120.75 1.614 . . . . 0.0 115.495 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -88.96 -9.69 50.5 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.015 1.326 . . . . 0.0 113.33 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -112.55 -19.78 11.98 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.494 2.318 . . . . 0.0 113.02 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.74 156.22 32.36 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.779 2.133 . . . . 0.0 111.628 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 N--CA 1.469 0.518 0 C-N-CA 124.483 1.113 . . . . 0.0 112.957 179.255 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -102.19 -40.03 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.164 0.986 . . . . 0.0 112.617 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.61 -28.17 45.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.55 -20.34 66.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.206 0.912 . . . . 0.0 112.978 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -102.72 -24.57 13.73 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.83 1.252 . . . . 0.0 114.24 170.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.02 -30.67 16.66 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.645 0.778 . . . . 0.0 113.095 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -105.09 -18.14 14.25 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.178 1.391 . . . . 0.0 113.541 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.03 162.12 35.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.969 2.108 . . . . 0.0 110.613 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -71.47 146.29 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.716 -0.615 . . . . 0.0 111.93 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -141.8 157.23 45.27 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.7 p -105.79 165.46 11.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.43 -33.1 72.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.791 0.837 . . . . 0.0 110.843 169.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -66.45 -34.27 77.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.711 0.804 . . . . 0.0 112.494 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -73.56 -36.05 65.57 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.418 -0.801 . . . . 0.0 112.048 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.27 -37.49 87.66 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.443 -0.786 . . . . 0.0 111.74 171.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.44 -29.14 68.53 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.847 -1.158 . . . . 0.0 113.098 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.31 -33.05 72.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.127 -0.983 . . . . 0.0 111.901 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.64 -36.17 70.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.222 0.609 . . . . 0.0 112.114 170.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 124.71 1.204 . . . . 0.0 112.783 177.242 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -109.78 132.1 54.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.806 1.643 . . . . 0.0 109.497 167.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.59 133.56 24.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.254 1.422 . . . . 0.0 110.694 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.28 160.51 40.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.269 1.027 . . . . 0.0 110.985 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -137.92 45.36 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.404 0.526 . . . . 0.0 113.134 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -64.87 -23.06 67.12 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -65.24 -40.25 93.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.635 1.107 . . . . 0.0 111.351 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.87 -43.84 78.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.922 0.889 . . . . 0.0 110.926 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.52 -44.72 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.451 0.569 . . . . 0.0 111.007 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.69 -41.72 92.06 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.097 0.862 . . . . 0.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.17 97.01 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.45 -0.781 . . . . 0.0 111.55 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.59 -41.52 94.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.424 1.09 . . . . 0.0 110.855 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.45 -49.4 77.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.424 1.09 . . . . 0.0 111.959 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.64 -32.8 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.681 0.792 . . . . 0.0 112.758 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.05 -38.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.931 0.892 . . . . 0.0 112.053 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -75.08 -31.31 61.18 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.234 1.013 . . . . 0.0 112.39 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.22 36.89 93.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.479 0.562 . . . . 0.0 113.189 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 62.35 25.05 14.95 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.011 1.724 . . . . 0.0 115.586 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -64.42 -16.55 62.58 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.453 1.101 . . . . 0.0 113.188 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.96 121.54 3.61 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 126.495 1.998 . . . . 0.0 112.69 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 112.142 -173.768 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -80.73 -19.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.16 -33.6 19.34 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.499 -0.751 . . . . 0.0 112.44 -172.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.25 -22.14 64.78 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -172.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.2 m -100.35 -20.8 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.357 1.463 . . . . 0.0 113.737 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.4 t -93.16 -37.7 11.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.919 0.888 . . . . 0.0 113.34 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -86.43 -23.15 26.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.343 1.057 . . . . 0.0 113.358 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -152.07 176.2 11.77 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.596 1.958 . . . . 0.0 109.483 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.15 147.12 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.366 -0.834 . . . . 0.0 112.266 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -133.78 168.14 19.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.907 1.283 . . . . 0.0 112.536 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -110.89 163.93 13.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.083 1.353 . . . . 0.0 114.32 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.61 -27.02 57.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.448 0.699 . . . . 0.0 112.547 169.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.73 -30.45 68.07 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.237 -0.914 . . . . 0.0 112.357 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -74.83 -34.9 62.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.245 1.018 . . . . 0.0 111.427 171.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.33 -38.25 81.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.4 -24.16 67.54 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.467 -1.395 . . . . 0.0 113.147 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.92 -35.63 69.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.197 -0.939 . . . . 0.0 112.211 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.33 -21.69 61.29 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.354 -0.841 . . . . 0.0 112.763 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.549 0.905 0 C-N-CA 126.239 1.816 . . . . 0.0 113.553 172.795 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -92.06 114.98 27.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.733 1.613 . . . . 0.0 109.072 167.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.57 135.81 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.189 1.396 . . . . 0.0 110.013 173.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.04 157.96 44.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.943 0.897 . . . . 0.0 111.123 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 -136.42 49.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.88 0.752 . . . . 0.0 113.325 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.9 p -63.48 -23.0 67.21 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -70.41 -34.02 72.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.6 1.091 . . . . 0.0 111.671 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.94 -39.8 69.16 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.15 0.98 . . . . 0.0 111.48 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.91 -45.04 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.65 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.56 -47.41 81.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.909 0.884 . . . . 0.0 112.577 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.16 89.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.026 0.83 . . . . 0.0 111.945 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.01 -39.71 93.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.023 0.929 . . . . 0.0 112.547 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.15 -43.99 98.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.292 1.037 . . . . 0.0 110.842 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.26 -38.15 68.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.466 1.106 . . . . 0.0 113.022 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.97 -38.26 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 118.829 0.741 . . . . 0.0 111.764 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.59 -23.58 45.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.308 1.043 . . . . 0.0 113.155 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.42 32.71 85.09 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.114 0.864 . . . . 0.0 113.186 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 58.42 23.9 11.15 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.062 1.745 . . . . 0.0 114.876 -172.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -27.23 68.28 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.483 -1.386 . . . . 0.0 112.943 173.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.46 121.68 2.6 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 126.711 2.1 . . . . 0.0 111.982 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.467 0.407 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -178.155 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.3 -15.23 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.19 -33.84 13.14 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.517 1.127 . . . . 0.0 112.337 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.06 -38.79 80.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.146 0.885 . . . . 0.0 112.56 -171.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.25 -13.71 21.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.709 1.204 . . . . 0.0 113.815 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.35 -34.42 17.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.14 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.1 p -92.36 -17.76 24.23 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.215 1.406 . . . . 0.0 114.185 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -148.62 174.11 12.48 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.409 1.483 . . . . 0.0 111.273 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 pt -78.36 145.37 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.005 0.922 . . . . 0.0 112.674 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.05 152.97 48.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.574 1.55 . . . . 0.0 112.796 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 p -112.36 176.13 5.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.233 2.213 . . . . 0.0 111.354 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 mt -54.68 -36.5 64.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.521 0.728 . . . . 0.0 111.486 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.06 -33.11 61.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.064 1.345 . . . . 0.0 112.29 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -69.94 -27.67 64.94 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.619 -0.676 . . . . 0.0 112.159 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.57 -37.7 49.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.569 0.748 . . . . 0.0 112.339 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.15 -26.63 51.13 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.844 -1.16 . . . . 0.0 113.219 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -53.15 -30.57 37.71 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.77 1.628 . . . . 0.0 113.371 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -96.64 -0.72 48.08 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 113.142 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.517 1.527 . . . . 0.0 111.473 169.697 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -76.42 139.76 41.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.648 1.179 . . . . 0.0 111.73 171.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -144.14 135.55 25.73 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.722 2.009 . . . . 0.0 110.142 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -142.36 159.42 42.27 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.997 0.919 . . . . 0.0 111.218 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.43 -139.23 44.91 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.606 0.622 . . . . 0.0 113.173 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -66.62 -19.14 65.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -66.99 -37.86 84.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.912 1.233 . . . . 0.0 111.668 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -67.39 -40.37 85.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.367 1.067 . . . . 0.0 111.057 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.68 -42.96 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.525 0.73 . . . . 0.0 111.44 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.05 -43.48 87.35 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.928 0.785 . . . . 0.0 112.244 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.83 98.71 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.596 -0.69 . . . . 0.0 111.52 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.1 -39.24 91.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.458 0.703 . . . . 0.0 111.799 172.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -62.44 -42.9 99.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.356 0.98 . . . . 0.0 111.659 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.46 -35.75 75.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.196 0.999 . . . . 0.0 112.732 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.8 -44.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.223 1.009 . . . . 0.0 111.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -78.04 -26.59 48.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.782 0.833 . . . . 0.0 112.985 -175.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.55 64.93 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.046 1.308 . . . . 0.0 115.273 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.86 20.58 9.49 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.072 1.749 . . . . 0.0 115.528 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -21.28 64.14 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.684 -1.26 . . . . 0.0 112.859 169.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.3 127.46 3.76 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.5 2.0 . . . . 0.0 112.094 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.165 1.386 . . . . 0.0 112.506 -176.01 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -77.93 -9.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -93.63 -37.78 11.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.146 1.379 . . . . 0.0 111.079 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -70.06 -26.71 64.14 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 m -93.22 -15.04 26.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 170.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.4 t -92.41 -33.51 14.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.968 0.907 . . . . 0.0 112.805 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -98.58 -18.77 17.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.535 1.534 . . . . 0.0 113.753 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 m -138.04 158.08 45.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.175 2.19 . . . . 0.0 109.539 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 pt -60.81 140.09 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.652 -0.655 . . . . 0.0 112.561 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.92 164.73 17.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.606 1.162 . . . . 0.0 112.528 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 t -152.68 144.77 23.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.387 1.075 . . . . 0.0 111.109 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -53.59 -32.45 51.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.631 1.173 . . . . 0.0 111.714 171.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -74.21 -33.64 63.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.65 0.78 . . . . 0.0 112.398 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -77.68 -32.53 53.18 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.822 -0.549 . . . . 0.0 111.756 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.35 -43.23 98.3 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.336 -0.853 . . . . 0.0 110.876 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.15 -33.29 74.22 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.451 -1.405 . . . . 0.0 112.787 170.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.24 -38.6 91.81 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.387 -0.82 . . . . 0.0 111.027 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -70.38 -32.42 70.07 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.326 -0.858 . . . . 0.0 112.487 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 118.882 0.765 . . . . 0.0 112.154 172.415 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -81.5 153.23 26.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.201 1.4 . . . . 0.0 111.873 169.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -138.67 136.76 36.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.028 1.731 . . . . 0.0 109.482 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -145.37 159.68 42.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.723 0.809 . . . . 0.0 111.426 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.55 -141.03 42.48 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.754 0.692 . . . . 0.0 113.17 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.6 p -64.19 -22.6 67.0 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -64.92 -40.85 95.7 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.57 1.077 . . . . 0.0 111.303 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.26 -40.8 74.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.783 0.833 . . . . 0.0 111.517 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.11 -43.7 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.108 0.563 . . . . 0.0 110.717 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.92 -42.9 89.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.237 0.926 . . . . 0.0 112.164 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.37 97.97 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.444 -0.785 . . . . 0.0 111.7 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.23 -40.78 98.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.765 0.826 . . . . 0.0 111.735 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.26 -42.82 92.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.034 0.934 . . . . 0.0 111.82 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.88 -34.07 68.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.506 1.122 . . . . 0.0 113.049 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.33 -39.65 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.709 0.803 . . . . 0.0 112.218 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -74.8 -36.04 62.47 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.224 0.92 . . . . 0.0 111.679 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.27 55.63 5.57 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.21 0.909 . . . . 0.0 113.282 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.35 37.33 25.9 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.941 1.296 . . . . 0.0 113.473 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.56 -12.41 60.21 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -170.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.07 32.87 30.85 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.878 0.751 . . . . 0.0 113.072 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.9 p90 . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 126.268 1.827 . . . . 0.0 112.425 177.318 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -73.23 -29.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -74.6 -27.78 60.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.026 0.931 . . . . 0.0 112.25 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -52.34 -32.15 36.84 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.774 1.63 . . . . 0.0 113.273 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 -17.58 8.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -87.78 -18.8 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.552 1.069 . . . . 0.0 113.335 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -132.49 -41.18 0.97 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.458 1.103 . . . . 0.0 111.504 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.5 m -83.71 176.44 8.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.278 1.031 . . . . 0.0 110.202 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 pt -102.76 139.5 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.476 1.11 . . . . 0.0 111.358 170.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.69 151.96 32.76 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -171.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 p -110.72 162.4 14.8 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.381 1.472 . . . . 0.0 113.217 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.27 -34.79 74.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.518 0.727 . . . . 0.0 110.823 170.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.97 -33.85 76.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.006 0.922 . . . . 0.0 112.416 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -73.64 -38.1 65.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.177 0.991 . . . . 0.0 111.762 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.03 -32.58 74.14 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.203 -0.935 . . . . 0.0 112.434 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.89 -30.54 71.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.687 0.795 . . . . 0.0 112.862 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -66.23 -26.93 67.6 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.284 0.947 . . . . 0.0 112.464 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.15 -8.34 53.89 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.343 1.057 . . . . 0.0 113.825 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 CA--C 1.542 0.656 0 O-C-N 120.987 -1.071 . . . . 0.0 112.33 -179.674 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -119.01 153.07 35.27 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.916 1.286 . . . . 0.0 112.378 169.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.3 mt -156.8 150.28 24.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.891 2.476 . . . . 0.0 109.457 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -147.39 159.55 43.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.302 -0.873 . . . . 0.0 111.983 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.08 -136.07 50.92 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.927 0.775 . . . . 0.0 113.43 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -62.26 -22.79 66.27 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -70.17 -36.41 74.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.816 1.189 . . . . 0.0 111.694 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -73.01 -37.84 66.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.095 0.958 . . . . 0.0 111.169 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.11 -42.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.757 -0.589 . . . . 0.0 111.347 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.52 -37.9 89.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.587 1.085 . . . . 0.0 112.31 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.08 94.38 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.384 -0.822 . . . . 0.0 111.857 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.07 -44.64 83.27 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.708 1.203 . . . . 0.0 110.539 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.04 -46.42 90.79 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.63 1.572 . . . . 0.0 112.096 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.6 -34.15 64.93 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.599 1.16 . . . . 0.0 112.665 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -74.16 -38.83 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.042 0.937 . . . . 0.0 111.643 175.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -70.79 -29.82 66.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.799 0.84 . . . . 0.0 111.964 173.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.29 45.62 8.69 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 124.746 1.165 . . . . 0.0 113.864 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 58.93 27.19 15.91 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.153 1.381 . . . . 0.0 113.954 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -19.95 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.778 -1.202 . . . . 0.0 113.959 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 126.21 1.41 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.243 1.401 . . . . 0.0 111.094 -171.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 124.457 1.103 . . . . 0.0 112.301 -169.785 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.31 -21.83 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.285 1.434 . . . . 0.0 113.806 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.0 -50.46 5.09 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.649 1.179 . . . . 0.0 110.312 170.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 -31.45 72.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.628 0.974 . . . . 0.0 113.628 -169.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.6 m -95.81 -9.67 30.98 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -107.06 -40.43 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.834 0.854 . . . . 0.0 112.616 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -80.46 -17.55 51.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.23 1.012 . . . . 0.0 113.554 172.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -146.43 -179.69 6.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.087 1.755 . . . . 0.0 111.367 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.37 153.32 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.018 0.927 . . . . 0.0 113.467 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 m -135.55 156.57 48.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.752 1.621 . . . . 0.0 112.123 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -149.87 170.38 18.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.618 1.967 . . . . 0.0 109.931 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.84 -40.23 55.44 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.56 1.544 . . . . 0.0 112.439 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -65.32 -28.25 69.17 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -91.24 -29.66 17.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.309 1.044 . . . . 0.0 112.205 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.83 -37.39 87.45 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.201 -0.937 . . . . 0.0 111.089 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -25.71 67.08 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.649 -1.282 . . . . 0.0 112.976 170.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -67.01 -35.7 80.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.095 0.958 . . . . 0.0 112.268 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -78.02 -30.42 49.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.569 -0.707 . . . . 0.0 112.044 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.2 t . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 125.125 1.37 . . . . 0.0 113.488 -179.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -82.49 145.25 29.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.469 0.707 . . . . 0.0 110.321 169.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -140.83 153.84 45.95 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.206 2.202 . . . . 0.0 109.392 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 172.22 15.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.067 -1.021 . . . . 0.0 111.07 173.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.23 -136.85 49.4 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 121.791 -0.568 . . . . 0.0 112.663 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -74.68 -21.45 59.4 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -64.52 -33.27 75.51 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.454 1.479 . . . . 0.0 112.057 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.98 -32.93 74.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.019 1.728 . . . . 0.0 112.313 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.56 -36.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.258 1.023 . . . . 0.0 111.081 170.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.33 -37.12 84.62 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.547 1.139 . . . . 0.0 112.734 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.18 93.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.262 -0.899 . . . . 0.0 111.987 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -38.77 92.26 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.944 0.898 . . . . 0.0 110.793 170.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.42 -33.01 74.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.443 1.097 . . . . 0.0 112.938 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.04 -25.74 43.19 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.733 -1.229 . . . . 0.0 113.015 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.6 t -81.01 -35.58 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.37 1.068 . . . . 0.0 112.526 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 m -145.04 -3.49 0.76 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -171.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.33 -15.33 58.84 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.474 -1.391 . . . . 0.0 114.998 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.71 -24.8 44.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.973 0.887 . . . . 0.0 112.299 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -85.77 -37.75 18.97 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.433 1.493 . . . . 0.0 111.533 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.05 145.04 16.99 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.793 1.663 . . . . 0.0 112.351 -170.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.481 1.512 . . . . 0.0 111.611 -174.863 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 m -65.95 -14.58 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -104.0 -36.01 7.9 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 111.958 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.88 -34.0 72.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.669 1.187 . . . . 0.0 113.637 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.5 t -96.76 -12.93 23.04 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.065 1.346 . . . . 0.0 113.221 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -92.79 -41.69 9.97 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 0.0 113.334 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.73 -17.91 24.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.88 1.272 . . . . 0.0 113.911 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -138.09 165.68 26.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.497 1.919 . . . . 0.0 111.096 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.5 pt -66.01 149.95 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.05 154.94 43.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.887 1.275 . . . . 0.0 113.649 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -135.16 171.09 14.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.978 2.111 . . . . 0.0 111.821 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.56 -34.22 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.665 -0.647 . . . . 0.0 112.71 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -71.35 -32.06 68.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.602 0.761 . . . . 0.0 112.181 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -74.25 -37.25 63.84 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.552 0.741 . . . . 0.0 111.715 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.37 -43.69 76.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.98 0.912 . . . . 0.0 112.313 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.26 -21.7 49.55 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.941 -1.099 . . . . 0.0 113.958 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -65.13 -24.45 67.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.252 1.021 . . . . 0.0 112.982 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.95 -13.38 41.96 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 125.321 1.449 . . . . 0.0 114.574 -176.868 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -115.61 153.72 30.75 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.353 1.861 . . . . 0.0 109.732 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.8 mt -139.6 144.09 37.59 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.885 1.274 . . . . 0.0 110.592 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -143.12 162.71 34.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.884 0.874 . . . . 0.0 111.254 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -139.31 48.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 123.514 0.578 . . . . 0.0 112.785 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.7 p -67.83 -20.72 65.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.68 -36.95 83.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.782 1.174 . . . . 0.0 111.7 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.16 -45.26 92.69 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.752 1.221 . . . . 0.0 110.938 173.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.09 -41.81 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.035 0.934 . . . . 0.0 111.165 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -66.26 -42.09 88.98 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.045 0.938 . . . . 0.0 111.615 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.67 99.7 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.171 0.442 . . . . 0.0 111.75 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.41 -41.4 93.83 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.849 0.75 . . . . 0.0 111.915 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -48.74 80.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.896 1.279 . . . . 0.0 111.706 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.66 -32.65 60.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.179 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.61 -43.83 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.301 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -87.9 -25.04 23.44 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.19 45.16 20.63 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.057 0.837 . . . . 0.0 113.446 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 56.59 47.28 18.82 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.395 1.478 . . . . 0.0 113.052 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -106.02 17.08 24.13 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 126.585 1.954 . . . . 0.0 114.069 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.65 132.34 1.73 Allowed Glycine 0 N--CA 1.469 0.863 0 C-N-CA 126.276 1.893 . . . . 0.0 112.999 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 125.543 1.537 . . . . 0.0 111.317 176.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -61.95 -24.06 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -94.98 -47.95 6.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.01 0.924 . . . . 0.0 110.819 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.18 -33.77 76.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.42 -10.7 26.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -102.82 -32.18 9.93 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.927 0.785 . . . . 0.0 112.665 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -90.44 -14.6 32.53 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -144.13 166.93 23.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 111.034 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 pt -64.06 144.67 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.097 0.559 . . . . 0.0 112.386 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.54 153.57 39.06 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.961 1.304 . . . . 0.0 112.823 169.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -147.39 167.54 24.11 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.982 2.513 . . . . 0.0 108.674 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.74 -35.32 55.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -67.05 -22.88 65.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -84.71 -37.27 21.13 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.348 1.059 . . . . 0.0 111.892 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.67 -42.34 99.57 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.702 1.137 . . . . 0.0 111.498 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -16.81 60.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.745 1.218 . . . . 0.0 113.863 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -68.78 -24.15 64.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.385 -0.822 . . . . 0.0 112.681 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.77 -30.36 16.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.099 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -82.21 143.85 31.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 168.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.33 151.58 51.79 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.073 1.749 . . . . 0.0 109.463 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 169.59 18.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 110.334 171.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.88 -133.29 52.76 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 121.598 -0.688 . . . . 0.0 113.098 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -73.79 -24.36 59.82 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -67.89 -32.4 72.86 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.72 1.6 . . . . 0.0 112.552 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.26 -34.76 78.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.42 1.088 . . . . 0.0 111.664 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.62 -39.28 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.88 1.272 . . . . 0.0 110.986 170.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -62.23 -37.38 85.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.397 1.479 . . . . 0.0 112.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.88 90.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.111 0.869 . . . . 0.0 111.843 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.77 -33.79 75.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.18 0.992 . . . . 0.0 111.74 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.29 -42.93 82.93 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.337 1.055 . . . . 0.0 111.887 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.97 -28.59 57.94 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.837 -1.164 . . . . 0.0 112.879 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.81 -31.15 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.573 1.149 . . . . 0.0 112.213 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.3 m -144.57 2.74 1.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -169.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.93 -19.52 37.52 Favored Glycine 0 N--CA 1.48 1.6 0 CA-C-N 120.07 1.305 . . . . 0.0 116.115 -174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -103.86 -8.54 19.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.396 1.479 . . . . 0.0 113.707 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -105.58 -11.63 16.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.25 2.62 . . . . 0.0 113.298 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.54 121.44 4.9 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.356 1.931 . . . . 0.0 113.044 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 177.168 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.53 -28.51 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.82 -29.65 64.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -166.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -61.21 -36.99 81.41 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.782 1.174 . . . . 0.0 111.832 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.06 -20.67 18.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.631 1.173 . . . . 0.0 113.129 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -86.0 -28.32 24.27 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.345 -0.847 . . . . 0.0 112.518 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -106.13 -11.24 16.16 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -146.39 179.53 7.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.688 1.595 . . . . 0.0 111.401 173.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 pt -74.07 -24.45 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p 47.96 -167.21 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.549 2.74 . . . . 0.0 115.219 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -151.03 164.26 36.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.052 0.941 . . . . 0.0 112.377 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.61 -29.94 62.69 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.648 0.779 . . . . 0.0 112.822 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -64.89 -25.29 67.82 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.488 0.715 . . . . 0.0 112.893 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -84.08 -31.28 25.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.37 1.068 . . . . 0.0 112.019 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.44 -39.65 85.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.987 0.515 . . . . 0.0 111.007 169.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.48 -20.95 66.51 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.853 -1.154 . . . . 0.0 113.263 173.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -73.99 -28.94 61.7 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.05 0.841 . . . . 0.0 112.756 171.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.89 -26.14 43.88 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.862 0.865 . . . . 0.0 112.766 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.9 t . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.385 1.474 . . . . 0.0 112.316 175.466 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.75 139.64 57.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.727 0.811 . . . . 0.0 112.584 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.09 134.95 30.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.69 1.996 . . . . 0.0 110.079 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -141.73 151.97 43.41 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.327 1.051 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.91 -135.54 48.98 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 123.413 0.53 . . . . 0.0 113.51 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -59.32 -26.45 65.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -68.39 -36.25 78.87 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.125 -0.984 . . . . 0.0 111.647 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 tp -73.41 -37.35 65.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.365 0.666 . . . . 0.0 111.49 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.92 -39.91 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.065 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -42.81 99.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.775 1.171 . . . . 0.0 112.32 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.06 81.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.628 -0.67 . . . . 0.0 112.196 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.85 -40.56 80.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.55 1.14 . . . . 0.0 111.95 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.28 -43.03 99.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.476 1.11 . . . . 0.0 111.558 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.7 mt -74.62 -36.48 62.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.712 1.205 . . . . 0.0 112.812 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.33 -39.82 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.974 0.806 . . . . 0.0 111.717 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 t -78.56 -29.78 46.5 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.0 113.234 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.69 44.48 81.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.775 0.702 . . . . 0.0 113.496 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.78 16.82 9.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -74.25 -7.69 53.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.448 1.499 . . . . 0.0 114.24 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.84 145.4 8.27 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.486 1.517 . . . . 0.0 113.089 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.44 1.096 . . . . 0.0 113.406 -171.371 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 -1.06 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -170.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.46 -28.08 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.098 -1.001 . . . . 0.0 112.29 169.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -61.8 -32.35 72.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.596 1.158 . . . . 0.0 112.633 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.01 -20.0 15.58 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -98.07 -49.93 4.57 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -96.57 -29.52 13.81 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.708 0.686 . . . . 0.0 112.34 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -99.92 170.24 8.65 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.058 1.343 . . . . 0.0 111.047 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.87 139.59 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 110.05 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.1 177.38 7.91 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -142.47 170.36 15.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.219 1.408 . . . . 0.0 112.222 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.93 -39.81 66.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.471 1.508 . . . . 0.0 111.52 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -67.1 -20.39 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.927 1.291 . . . . 0.0 113.657 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -88.29 -36.57 16.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.367 1.067 . . . . 0.0 111.245 170.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.3 -31.08 71.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.449 0.699 . . . . 0.0 112.514 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.62 -24.68 64.02 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -69.76 -18.25 63.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.112 0.965 . . . . 0.0 112.803 -178.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.1 -6.48 24.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.714 1.206 . . . . 0.0 113.419 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.43 1.092 . . . . 0.0 112.596 169.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -102.74 136.36 42.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.034 1.334 . . . . 0.0 109.857 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -150.53 131.75 14.5 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.82 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.9 m -136.89 165.64 25.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.712 1.205 . . . . 0.0 112.075 -169.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.58 -140.43 45.66 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.108 0.861 . . . . 0.0 114.376 169.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -66.5 -24.08 66.35 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -64.39 -38.83 92.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.86 0.755 . . . . 0.0 111.192 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.48 -41.7 88.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.328 1.051 . . . . 0.0 111.817 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -61.79 -44.94 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.262 0.625 . . . . 0.0 110.882 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.71 -42.35 99.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.814 0.846 . . . . 0.0 112.31 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.89 95.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.18 -0.95 . . . . 0.0 112.163 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.3 98.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.681 0.792 . . . . 0.0 111.073 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.04 -48.09 79.37 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.727 1.611 . . . . 0.0 111.517 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.13 -31.97 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.043 0.937 . . . . 0.0 113.019 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.74 -42.76 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.393 174.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 60.4 m -75.1 -33.29 61.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.46 53.96 11.73 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.685 0.675 . . . . 0.0 113.709 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 58.89 41.69 20.88 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.35 1.46 . . . . 0.0 114.005 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -108.35 -3.45 18.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.404 1.882 . . . . 0.0 114.387 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 149.3 9.61 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.275 1.417 . . . . 0.0 112.509 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 124.856 1.262 . . . . 0.0 112.651 -176.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -83.26 -33.62 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.021 0.928 . . . . 0.0 111.85 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.83 -32.85 73.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.306 1.442 . . . . 0.0 112.806 -175.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -58.27 -23.21 55.44 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.782 1.233 . . . . 0.0 113.571 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -18.86 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 172.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.5 t -82.73 -20.39 36.08 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.253 0.933 . . . . 0.0 113.334 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -133.5 -40.18 0.89 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.197 0.999 . . . . 0.0 111.489 169.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -82.93 178.11 8.32 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.21 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 pt -102.63 148.5 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.763 1.225 . . . . 0.0 111.629 174.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -134.6 160.81 36.92 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -133.3 170.75 14.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.933 2.093 . . . . 0.0 110.328 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -52.54 -33.16 44.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -68.11 -22.64 64.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.872 0.869 . . . . 0.0 112.849 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -79.71 -42.89 23.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.95 0.9 . . . . 0.0 111.011 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.02 -40.75 96.76 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.959 0.8 . . . . 0.0 111.965 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.37 -13.8 15.16 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -73.47 -21.67 60.38 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.056 -1.028 . . . . 0.0 113.115 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.39 -3.37 33.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -171.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -175.294 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -124.78 156.12 38.26 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.327 1.451 . . . . 0.0 112.336 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -154.12 146.11 23.59 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.434 2.294 . . . . 0.0 109.895 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.82 160.23 42.98 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.633 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -132.31 46.02 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.022 0.82 . . . . 0.0 113.469 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -63.32 -23.21 67.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -70.93 -37.85 72.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.659 1.118 . . . . 0.0 111.59 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.4 -38.92 71.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.247 1.019 . . . . 0.0 111.418 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.41 -45.57 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.798 0.839 . . . . 0.0 111.295 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.64 -40.92 98.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.35 0.977 . . . . 0.0 112.016 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.0 96.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.672 -0.643 . . . . 0.0 111.874 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.73 -41.5 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.845 0.858 . . . . 0.0 112.296 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.73 -47.43 86.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.481 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.98 -31.9 30.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.426 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -65.26 -46.4 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.015 0.825 . . . . 0.0 110.644 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.89 -24.35 28.53 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.51 53.38 4.38 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.702 1.144 . . . . 0.0 112.764 173.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 59.58 31.96 21.29 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.279 1.432 . . . . 0.0 113.87 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -71.46 -20.05 62.14 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.951 1.3 . . . . 0.0 114.462 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.84 135.12 7.87 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.881 1.705 . . . . 0.0 110.362 -167.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 p90 . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 123.927 0.891 . . . . 0.0 113.015 -172.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.06 -28.61 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 120.976 -1.077 . . . . 0.0 112.14 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.51 -34.3 63.01 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.55 -0.719 . . . . 0.0 111.601 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.92 -44.13 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.04 0.836 . . . . 0.0 113.11 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -82.01 -20.84 37.6 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -76.0 -37.6 58.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.718 0.807 . . . . 0.0 111.69 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -101.03 -14.27 17.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.484 1.514 . . . . 0.0 114.307 -174.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.61 177.39 8.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.783 1.633 . . . . 0.0 111.939 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.78 145.37 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.219 1.007 . . . . 0.0 112.755 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -142.92 167.45 22.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 113.564 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -136.81 177.94 7.46 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.521 1.928 . . . . 0.0 112.026 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.76 -29.6 28.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 170.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -73.89 -29.91 62.33 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.357 -0.84 . . . . 0.0 112.422 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -81.05 -26.1 36.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.553 0.741 . . . . 0.0 112.585 169.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.99 -38.28 75.97 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.963 -1.085 . . . . 0.0 111.169 169.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -67.88 -12.03 59.86 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 119.867 -1.771 . . . . 0.0 113.705 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.94 -24.25 60.78 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.911 -1.118 . . . . 0.0 112.813 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.58 -20.58 31.25 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.086 -1.009 . . . . 0.0 112.866 169.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 125.891 1.676 . . . . 0.0 113.636 -171.093 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.16 142.26 27.69 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.329 1.451 . . . . 0.0 108.698 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.68 128.68 13.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.122 0.969 . . . . 0.0 110.876 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -136.79 165.01 26.93 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.736 0.815 . . . . 0.0 112.742 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.94 -138.22 49.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.211 0.91 . . . . 0.0 114.322 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.2 p -66.52 -22.05 66.17 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -69.28 -39.77 78.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.371 0.987 . . . . 0.0 111.213 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.34 -47.18 87.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.445 1.098 . . . . 0.0 110.613 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.44 -37.38 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.317 0.647 . . . . 0.0 112.189 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.79 -45.96 69.95 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.525 1.057 . . . . 0.0 111.998 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.48 99.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.686 -0.634 . . . . 0.0 111.749 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.33 -41.09 88.31 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.661 1.184 . . . . 0.0 111.835 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -44.64 96.89 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.449 1.022 . . . . 0.0 111.413 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.16 -35.24 68.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.54 1.136 . . . . 0.0 112.941 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.98 -38.58 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.29 1.036 . . . . 0.0 111.756 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.59 -27.5 55.82 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.423 -0.798 . . . . 0.0 112.59 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.7 42.15 99.71 Favored Glycine 0 CA--C 1.534 1.221 0 O-C-N 121.476 -0.765 . . . . 0.0 112.664 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.354 10.8 pt-20 53.69 26.34 5.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.429 2.291 . . . . 0.0 116.947 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -64.82 -16.66 63.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.627 1.171 . . . . 0.0 112.798 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.19 138.06 9.65 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.602 2.049 . . . . 0.0 112.003 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 124.098 0.959 . . . . 0.0 112.928 -174.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.307 9.6 tp . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.32 -24.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.62 -36.43 51.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.768 0.713 . . . . 0.0 112.702 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.8 -44.04 97.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.233 1.013 . . . . 0.0 112.067 -171.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -82.43 -14.59 54.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.238 1.015 . . . . 0.0 113.683 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -86.37 -37.02 18.84 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.552 0.741 . . . . 0.0 111.783 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -92.45 -18.6 23.01 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.421 1.488 . . . . 0.0 114.449 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -142.44 179.46 6.93 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.389 1.876 . . . . 0.0 111.296 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -75.84 152.52 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.207 -0.933 . . . . 0.0 112.058 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 m -133.61 128.19 34.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -95.43 167.41 11.34 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.83 1.652 . . . . 0.0 110.614 168.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -54.87 -31.15 59.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -69.33 -28.5 66.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.491 -0.755 . . . . 0.0 113.026 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.89 -30.72 56.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.437 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.33 -38.15 42.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.939 0.896 . . . . 0.0 112.109 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.3 -22.86 66.37 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.305 -1.497 . . . . 0.0 113.394 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.4 -34.46 77.79 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.324 -0.86 . . . . 0.0 112.255 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.48 -36.66 44.88 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.075 0.95 . . . . 0.0 111.648 171.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 123.209 0.603 . . . . 0.0 112.283 178.568 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -87.04 148.18 25.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.35 1.06 . . . . 0.0 109.985 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.3 mt -142.68 141.17 31.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.89 1.676 . . . . 0.0 110.08 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.58 156.96 46.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.08 0.952 . . . . 0.0 111.162 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -141.44 48.08 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 121.953 -0.467 . . . . 0.0 112.675 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -65.66 -25.41 67.33 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.59 -0.947 . . . . 0.0 113.469 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -68.42 -29.4 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.432 1.015 . . . . 0.0 112.678 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 tp -68.4 -37.58 80.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.2 0.6 . . . . 0.0 111.315 170.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.96 -42.07 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.143 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.98 -44.14 97.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.655 1.182 . . . . 0.0 112.245 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.36 86.39 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.395 -0.816 . . . . 0.0 112.493 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.68 -38.96 89.74 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.498 0.719 . . . . 0.0 111.58 172.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.88 -44.92 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.574 1.15 . . . . 0.0 111.833 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.21 -36.61 79.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.27 1.028 . . . . 0.0 112.749 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.24 -40.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.801 0.84 . . . . 0.0 111.432 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.12 -30.57 71.09 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.286 -0.884 . . . . 0.0 112.803 172.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.36 76.88 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 120.143 1.338 . . . . 0.0 112.656 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.261 14.4 tt0 60.97 27.57 17.43 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.628 1.971 . . . . 0.0 115.314 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -63.66 -17.53 63.03 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.624 -1.298 . . . . 0.0 113.535 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.69 130.18 5.89 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.89 1.71 . . . . 0.0 113.087 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 126.274 1.829 . . . . 0.0 110.217 -177.397 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.26 -30.72 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 123.404 0.682 . . . . 0.0 111.88 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.58 -43.49 69.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.97 1.308 . . . . 0.0 111.886 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.11 -11.39 60.73 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -170.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.58 -5.06 13.42 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.907 1.283 . . . . 0.0 113.992 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -102.23 -36.65 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.834 1.254 . . . . 0.0 112.993 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -83.56 -18.13 39.39 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.598 1.159 . . . . 0.0 113.254 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -136.48 164.64 27.69 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.37 2.268 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.4 pt -59.89 152.81 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.524 0.73 . . . . 0.0 112.139 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 t -123.97 144.03 50.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.205 1.002 . . . . 0.0 113.567 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -156.55 173.35 17.05 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.138 0.975 . . . . 0.0 113.509 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.05 -37.41 66.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.874 1.67 . . . . 0.0 112.032 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -64.99 -29.57 70.5 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -80.27 -36.43 34.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.303 1.041 . . . . 0.0 111.136 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.24 -40.16 62.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.816 0.846 . . . . 0.0 112.368 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.72 -29.69 70.86 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.772 -1.205 . . . . 0.0 112.594 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -62.94 -37.3 86.51 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.534 -0.729 . . . . 0.0 111.221 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -74.2 -30.4 62.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 172.403 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -105.27 159.73 15.65 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.773 1.629 . . . . 0.0 110.452 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -133.97 141.63 47.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.194 1.398 . . . . 0.0 110.68 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.71 159.54 42.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.759 0.823 . . . . 0.0 111.438 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.3 -138.71 39.38 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.848 0.737 . . . . 0.0 113.318 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -64.32 -20.26 65.97 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -68.67 -38.94 80.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.856 1.207 . . . . 0.0 111.52 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.51 -43.32 85.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.33 1.052 . . . . 0.0 110.746 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.408 0.683 . . . . 0.0 111.31 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.85 -43.24 84.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.189 0.904 . . . . 0.0 112.018 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.49 98.77 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.786 -0.572 . . . . 0.0 111.666 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.91 -42.23 97.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.899 0.88 . . . . 0.0 111.944 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.09 -43.89 91.86 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.434 1.094 . . . . 0.0 111.748 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.59 -34.26 71.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.303 1.041 . . . . 0.0 112.805 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.48 -39.47 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.868 0.867 . . . . 0.0 111.863 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.57 -23.9 58.83 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.25 0.62 . . . . 0.0 112.64 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.94 36.17 91.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.05 0.833 . . . . 0.0 113.664 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 60.31 21.05 10.54 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.053 1.741 . . . . 0.0 114.705 -174.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.25 -7.02 47.08 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.715 -1.241 . . . . 0.0 114.308 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.09 131.33 6.69 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.159 1.837 . . . . 0.0 113.106 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 126.679 1.992 . . . . 0.0 110.456 177.64 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.85 -25.07 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.946 0.899 . . . . 0.0 113.094 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.96 -41.77 18.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.43 0.692 . . . . 0.0 111.406 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -55.06 -47.44 74.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.841 0.857 . . . . 0.0 113.197 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -88.37 -7.12 57.18 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.69 -37.11 13.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.842 0.857 . . . . 0.0 111.996 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -89.0 -20.48 24.36 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.04 174.24 10.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.562 1.545 . . . . 0.0 112.606 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.83 138.84 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.645 1.578 . . . . 0.0 113.018 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m -139.28 156.5 47.01 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -153.38 -175.94 5.57 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.531 1.932 . . . . 0.0 109.932 169.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -45.73 -42.6 12.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.486 1.915 . . . . 0.0 113.544 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -65.8 -23.1 66.63 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -94.57 -31.47 13.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.398 1.079 . . . . 0.0 112.402 170.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.69 -40.3 72.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.599 0.76 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.9 -26.33 62.03 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.13 -0.982 . . . . 0.0 112.967 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.83 -29.93 67.27 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.539 1.136 . . . . 0.0 112.744 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -82.07 -14.49 55.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.795 0.838 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 124.174 0.99 . . . . 0.0 113.338 174.462 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -117.57 152.0 36.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.332 1.853 . . . . 0.0 109.849 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.2 mt -139.34 142.87 37.61 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.361 1.464 . . . . 0.0 110.264 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.31 155.63 46.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.864 0.866 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.97 -139.16 49.0 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 123.599 0.619 . . . . 0.0 112.715 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -64.71 -26.06 68.21 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -69.93 -28.71 65.8 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.497 1.044 . . . . 0.0 112.875 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.3 tp -71.41 -36.24 71.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.621 0.768 . . . . 0.0 111.329 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.63 -46.79 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.441 0.696 . . . . 0.0 110.74 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.45 -41.7 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.179 1.392 . . . . 0.0 112.422 176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.74 89.53 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.56 -0.713 . . . . 0.0 111.949 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.98 -41.46 99.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.832 0.853 . . . . 0.0 112.337 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -60.35 -42.57 96.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.929 1.692 . . . . 0.0 111.919 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.53 -32.73 48.13 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.443 1.097 . . . . 0.0 113.302 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.29 -46.03 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 111.509 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -19.59 36.61 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.96 57.62 4.01 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.688 1.137 . . . . 0.0 112.702 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 61.76 18.42 9.66 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.556 1.542 . . . . 0.0 114.364 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.31 59.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 135.8 2.22 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.392 1.472 . . . . 0.0 111.82 -169.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 125.438 1.495 . . . . 0.0 112.221 -170.302 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.46 -45.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.87 -44.68 96.33 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.161 0.891 . . . . 0.0 112.051 -172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -57.46 -32.54 67.05 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.153 0.981 . . . . 0.0 112.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -90.92 -8.57 48.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 114.458 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -97.8 -42.63 7.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 111.843 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -82.42 -21.97 35.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.122 0.969 . . . . 0.0 113.181 178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -143.4 179.49 7.07 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.164 1.786 . . . . 0.0 110.731 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 pt -80.66 149.09 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.885 1.274 . . . . 0.0 112.411 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.14 126.69 26.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.509 1.123 . . . . 0.0 112.136 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -70.57 161.01 31.44 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.062 0.945 . . . . 0.0 111.351 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.68 -32.95 63.69 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.667 0.787 . . . . 0.0 111.052 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -64.91 -30.06 71.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.283 1.033 . . . . 0.0 113.062 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -77.02 -36.33 56.36 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.204 1.002 . . . . 0.0 110.97 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.11 -33.11 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.988 0.515 . . . . 0.0 112.255 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.87 -30.31 70.78 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.707 -1.246 . . . . 0.0 112.862 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.6 -24.52 66.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.181 -0.95 . . . . 0.0 111.853 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -89.02 -23.34 22.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.573 1.149 . . . . 0.0 112.696 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.472 0.646 0 CA-C-N 118.907 0.776 . . . . 0.0 111.551 168.692 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 CA--C 1.542 0.644 0 CA-C-O 121.264 0.554 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -125.44 143.73 50.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.247 1.819 . . . . 0.0 110.219 172.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -140.54 150.87 44.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.314 1.446 . . . . 0.0 110.851 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.8 m -127.63 155.47 43.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.355 1.062 . . . . 0.0 111.681 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.98 46.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.918 0.771 . . . . 0.0 113.763 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -63.36 -23.39 67.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -65.11 -40.09 94.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.317 0.962 . . . . 0.0 111.377 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.74 -42.34 82.0 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.377 0.671 . . . . 0.0 111.367 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.87 -39.86 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.905 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.17 -40.94 90.87 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.064 0.847 . . . . 0.0 112.661 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.28 99.73 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.132 0.878 . . . . 0.0 112.027 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.6 -44.68 89.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 110.479 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.86 -46.43 87.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.215 1.406 . . . . 0.0 112.097 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.89 -30.7 70.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.569 1.147 . . . . 0.0 112.583 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.56 -42.15 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.147 0.979 . . . . 0.0 111.655 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 40.0 m -68.26 -33.79 75.02 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 0.958 . . . . 0.0 112.659 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.42 50.59 31.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.252 0.929 . . . . 0.0 113.244 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 64.53 11.11 6.36 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -21.0 64.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 138.68 6.33 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.782 1.658 . . . . 0.0 113.445 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 126.555 1.942 . . . . 0.0 110.973 -174.457 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.45 -29.53 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.85 -35.47 19.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.676 -0.678 . . . . 0.0 112.799 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -66.31 -38.93 88.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.175 1.352 . . . . 0.0 113.342 -171.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 m -80.89 -19.47 44.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.278 1.031 . . . . 0.0 113.445 173.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.58 -34.65 23.14 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.392 0.677 . . . . 0.0 112.428 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -97.17 -14.7 21.29 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.812 1.645 . . . . 0.0 114.001 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -144.0 -177.05 5.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.414 1.486 . . . . 0.0 111.821 171.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 pt -67.04 139.89 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.829 0.823 . . . . 0.0 112.13 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 t -101.5 160.78 14.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.998 1.319 . . . . 0.0 111.264 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.84 161.6 38.36 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.142 -0.974 . . . . 0.0 112.269 171.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.45 -33.82 55.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.172 1.389 . . . . 0.0 111.999 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -64.8 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 112.956 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -75.08 -38.63 61.22 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.446 0.698 . . . . 0.0 110.909 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.32 -43.16 98.57 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.718 0.69 . . . . 0.0 111.347 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.98 -33.43 74.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.777 -1.202 . . . . 0.0 112.227 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.41 -29.7 70.42 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.287 -0.883 . . . . 0.0 113.034 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.33 -18.71 51.97 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.861 0.864 . . . . 0.0 113.294 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 124.586 1.155 . . . . 0.0 112.46 174.375 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -87.92 159.67 18.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.362 1.465 . . . . 0.0 109.982 169.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.6 mt -139.98 130.77 25.92 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.013 1.725 . . . . 0.0 109.93 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -139.51 157.59 45.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 111.613 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.2 -137.29 49.54 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.695 0.664 . . . . 0.0 113.028 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -65.1 -21.13 66.76 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -67.5 -37.41 82.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.966 1.257 . . . . 0.0 111.775 174.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.28 -39.4 78.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.289 1.036 . . . . 0.0 111.122 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.96 -41.1 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.496 0.718 . . . . 0.0 111.393 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.05 -41.31 95.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.928 0.891 . . . . 0.0 111.854 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.87 99.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.445 -0.785 . . . . 0.0 112.0 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.84 -40.82 96.65 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.657 0.783 . . . . 0.0 112.011 174.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -43.54 98.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 111.539 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.51 -31.09 68.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.803 0.841 . . . . 0.0 112.936 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -77.9 -34.92 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.141 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -5.85 13.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.988 1.267 . . . . 0.0 114.413 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.27 -66.45 0.73 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.426 2.441 . . . . 0.0 114.673 171.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -149.4 -3.26 0.42 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.429 1.892 . . . . 0.0 113.657 -169.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.93 -24.24 67.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.209 1.404 . . . . 0.0 114.751 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.73 136.24 3.43 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.806 1.193 . . . . 0.0 111.004 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 124.203 1.001 . . . . 0.0 112.957 -168.42 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.301 9.0 tp . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -116.46 -23.38 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.887 1.675 . . . . 0.0 113.527 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.91 -43.12 96.88 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.685 -0.635 . . . . 0.0 112.489 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -62.66 -30.99 71.79 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -94.23 -10.47 32.88 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.64 -38.68 9.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.823 1.249 . . . . 0.0 112.181 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.4 -19.51 26.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.805 1.242 . . . . 0.0 113.563 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -143.82 -177.42 5.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.198 1.799 . . . . 0.0 110.833 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -87.61 147.41 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.373 1.069 . . . . 0.0 113.487 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -137.63 127.73 25.96 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.929 1.691 . . . . 0.0 113.422 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.6 p -80.86 174.69 11.37 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.234 1.414 . . . . 0.0 111.453 167.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.98 -34.96 72.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.544 -0.722 . . . . 0.0 111.008 169.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.92 -32.57 72.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.434 1.093 . . . . 0.0 112.654 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -76.41 -18.74 58.68 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.14 -36.14 21.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.555 1.142 . . . . 0.0 111.317 170.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.31 -21.69 50.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.058 1.343 . . . . 0.0 112.474 169.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.68 -30.84 45.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.553 170.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -98.16 -32.8 11.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.952 1.301 . . . . 0.0 112.845 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -132.35 142.75 49.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.492 1.517 . . . . 0.0 110.246 171.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -146.17 149.32 33.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.908 1.683 . . . . 0.0 110.027 -170.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.93 159.38 42.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.352 0.661 . . . . 0.0 111.613 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.18 -143.43 45.94 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.601 0.62 . . . . 0.0 113.193 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -61.22 -23.32 65.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -66.91 -38.71 86.74 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.387 0.994 . . . . 0.0 111.735 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -71.54 -39.96 70.37 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.832 0.853 . . . . 0.0 111.031 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.1 -43.86 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.586 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.86 -44.78 92.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.096 0.862 . . . . 0.0 112.74 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.71 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.047 0.84 . . . . 0.0 111.854 174.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.1 -37.03 85.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.642 0.777 . . . . 0.0 111.742 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.89 -45.12 94.02 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.461 1.104 . . . . 0.0 111.628 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.82 -33.49 74.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.927 0.891 . . . . 0.0 112.709 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.01 -42.28 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 111.194 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.54 -25.79 61.51 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.027 -1.046 . . . . 0.0 113.172 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 42.47 97.44 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 120.126 1.33 . . . . 0.0 113.904 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 62.41 15.91 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -68.95 -14.21 62.9 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.689 -1.257 . . . . 0.0 113.869 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 134.38 5.12 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.013 1.768 . . . . 0.0 113.676 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 125.961 1.704 . . . . 0.0 111.249 -178.523 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.99 -28.87 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -89.82 -50.9 5.78 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.004 0.521 . . . . 0.0 111.069 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.5 -31.46 70.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.25 -1.88 40.91 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.952 0.901 . . . . 0.0 113.096 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -97.75 -50.72 4.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.782 1.233 . . . . 0.0 110.65 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -84.35 -14.73 48.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 113.861 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -148.43 -171.63 3.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.973 1.709 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.0 pt -92.21 152.99 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.98 1.712 . . . . 0.0 112.173 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.7 m -137.31 139.83 41.13 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.347 1.059 . . . . 0.0 112.224 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 p -85.78 164.2 17.72 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.37 1.068 . . . . 0.0 112.395 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.51 -31.07 72.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.439 -0.788 . . . . 0.0 111.955 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -75.59 -34.97 60.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.601 1.16 . . . . 0.0 111.777 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.44 -30.52 69.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.122 0.969 . . . . 0.0 111.557 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.25 -30.96 43.4 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.49 -21.67 65.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.738 1.153 . . . . 0.0 113.497 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -56.22 -29.7 61.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.327 1.051 . . . . 0.0 112.669 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -93.74 -6.21 46.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.811 1.245 . . . . 0.0 113.598 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 0.0 113.997 170.797 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.08 155.05 18.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.105 1.362 . . . . 0.0 109.827 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.84 -89.17 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.445 1.098 . . . . 0.0 111.591 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 61.92 174.01 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.177 2.591 . . . . 0.0 113.935 -171.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.83 -137.43 46.27 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.153 -0.967 . . . . 0.0 113.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -76.63 -19.17 58.09 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -60.99 -35.94 78.15 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.93 1.241 . . . . 0.0 111.313 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.04 -38.02 89.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.771 1.628 . . . . 0.0 112.392 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.61 -41.34 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.243 1.017 . . . . 0.0 110.986 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.98 -42.53 84.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.444 1.098 . . . . 0.0 112.651 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.56 96.84 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.731 -0.606 . . . . 0.0 111.711 174.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -46.1 91.35 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.106 0.962 . . . . 0.0 110.683 174.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -48.24 78.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.721 1.208 . . . . 0.0 111.557 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.55 -33.15 72.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.391 1.076 . . . . 0.0 112.991 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 t -67.77 -43.23 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.192 0.997 . . . . 0.0 111.346 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.0 m -69.03 -44.3 72.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.782 0.719 . . . . 0.0 112.577 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.04 50.23 5.96 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.461 1.029 . . . . 0.0 112.922 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 59.4 32.45 21.82 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.536 1.534 . . . . 0.0 113.701 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.64 -16.55 59.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 0.0 114.764 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 117.11 0.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.455 1.503 . . . . 0.0 109.957 -167.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 124.286 1.035 . . . . 0.0 112.73 -169.047 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -37.19 -47.56 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 127.383 2.273 . . . . 0.0 115.159 -173.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -70.0 -21.01 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.23 -28.72 17.63 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.995 0.816 . . . . 0.0 112.759 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.58 -35.42 80.93 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -169.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.22 -12.64 17.86 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.8 t -83.27 -41.76 17.95 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.392 -0.817 . . . . 0.0 111.42 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -94.13 -19.06 21.15 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.146 1.379 . . . . 0.0 113.955 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -142.67 -174.75 4.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.407 1.883 . . . . 0.0 110.859 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 pt -88.76 151.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.259 1.023 . . . . 0.0 112.847 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 p -141.66 152.24 43.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -122.74 174.36 7.16 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.742 2.017 . . . . 0.0 110.971 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.39 -36.74 66.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.089 -1.007 . . . . 0.0 111.769 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -64.59 -25.5 67.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.53 1.132 . . . . 0.0 113.371 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -85.14 -33.69 22.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.53 1.132 . . . . 0.0 111.568 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.82 -36.64 84.56 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.477 1.035 . . . . 0.0 111.888 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.16 -11.98 17.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 174.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -67.95 -24.64 65.19 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.128 -0.982 . . . . 0.0 112.566 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.72 -6.42 23.73 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.805 1.242 . . . . 0.0 113.453 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.84 156.57 1.43 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.274 1.43 . . . . 0.0 111.738 168.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -59.19 148.75 30.48 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.283 1.833 . . . . 0.0 112.064 170.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 C-N-CA 125.654 1.597 . . . . 0.0 112.45 -176.48 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.7 p90 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.279 0.085 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -50.85 138.15 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.583 1.553 . . . . 0.0 114.321 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -87.97 22.84 2.24 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -78.74 144.46 35.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.522 1.129 . . . . 0.0 113.331 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -111.82 146.22 38.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.805 1.642 . . . . 0.0 109.652 168.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -141.22 138.19 33.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.064 1.746 . . . . 0.0 109.649 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.86 156.08 46.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.926 0.89 . . . . 0.0 110.889 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.34 -136.38 50.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.47 0.557 . . . . 0.0 113.497 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.7 p -63.4 -23.83 67.58 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -67.29 -37.74 83.88 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.35 0.977 . . . . 0.0 111.528 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.8 -38.85 70.2 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.355 1.062 . . . . 0.0 111.484 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.59 -43.09 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-O 118.902 -0.57 . . . . 0.0 110.998 171.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.29 -39.92 93.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.775 1.17 . . . . 0.0 112.522 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.0 89.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.196 -0.94 . . . . 0.0 111.881 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.94 -35.41 80.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.489 0.716 . . . . 0.0 112.291 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.85 -38.78 92.16 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.856 -1.153 . . . . 0.0 111.225 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.88 -35.78 59.75 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.882 -1.136 . . . . 0.0 113.112 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.89 -30.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.071 0.948 . . . . 0.0 111.927 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -135.42 -12.11 2.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 -169.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.08 -18.49 54.91 Favored Glycine 0 N--CA 1.479 1.515 0 CA-C-N 120.75 1.614 . . . . 0.0 115.495 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -88.96 -9.69 50.5 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.015 1.326 . . . . 0.0 113.33 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -112.55 -19.78 11.98 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.494 2.318 . . . . 0.0 113.02 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.74 156.22 32.36 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.779 2.133 . . . . 0.0 111.628 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.52 165.48 36.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.483 1.113 . . . . 0.0 112.957 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -113.88 120.29 40.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.366 1.466 . . . . 0.0 110.36 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -108.85 -6.11 15.93 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.229 1.412 . . . . 0.0 113.574 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -67.85 149.52 98.19 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 125.297 1.439 . . . . 0.0 111.466 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -62.38 -30.37 80.51 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.926 2.417 . . . . 0.0 113.587 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -153.65 150.41 28.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.218 1.807 . . . . 0.0 109.728 167.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -141.62 -176.34 4.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.406 1.882 . . . . 0.0 110.102 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -77.76 41.9 0.36 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.586 1.954 . . . . 0.0 112.855 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.968 2.507 . . . . 0.0 110.9 -178.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 CA-C-O 119.104 -0.831 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp -49.1 -39.45 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 127.094 2.157 . . . . 0.0 114.553 -173.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -102.19 -40.03 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.164 0.986 . . . . 0.0 112.617 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.61 -28.17 45.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.55 -20.34 66.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.206 0.912 . . . . 0.0 112.978 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -102.72 -24.57 13.73 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.83 1.252 . . . . 0.0 114.24 170.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.02 -30.67 16.66 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.645 0.778 . . . . 0.0 113.095 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -105.09 -18.14 14.25 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.178 1.391 . . . . 0.0 113.541 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.03 162.12 35.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.969 2.108 . . . . 0.0 110.613 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -71.47 146.29 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.716 -0.615 . . . . 0.0 111.93 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -141.8 157.23 45.27 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.7 p -105.79 165.46 11.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.43 -33.1 72.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.791 0.837 . . . . 0.0 110.843 169.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -66.45 -34.27 77.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.711 0.804 . . . . 0.0 112.494 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -73.56 -36.05 65.57 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.418 -0.801 . . . . 0.0 112.048 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.27 -37.49 87.66 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.443 -0.786 . . . . 0.0 111.74 171.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.44 -29.14 68.53 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.847 -1.158 . . . . 0.0 113.098 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.31 -33.05 72.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.127 -0.983 . . . . 0.0 111.901 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.64 -36.17 70.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.222 0.609 . . . . 0.0 112.114 170.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.07 -43.41 82.7 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.71 1.204 . . . . 0.0 112.783 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 62.85 159.71 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.185 2.194 . . . . 0.0 114.262 -168.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 C-N-CA 125.249 1.404 . . . . 0.0 113.039 -174.775 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.56 0.219 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.4 t -72.96 125.83 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.11 0.964 . . . . 0.0 109.923 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -101.0 20.12 16.12 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -168.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -85.5 143.5 28.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.125 0.97 . . . . 0.0 113.156 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -109.78 132.1 54.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.806 1.643 . . . . 0.0 109.497 167.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.59 133.56 24.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.254 1.422 . . . . 0.0 110.694 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.28 160.51 40.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.269 1.027 . . . . 0.0 110.985 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -137.92 45.36 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.404 0.526 . . . . 0.0 113.134 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -64.87 -23.06 67.12 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -65.24 -40.25 93.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.635 1.107 . . . . 0.0 111.351 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.87 -43.84 78.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.922 0.889 . . . . 0.0 110.926 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.52 -44.72 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.451 0.569 . . . . 0.0 111.007 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.69 -41.72 92.06 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.097 0.862 . . . . 0.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.17 97.01 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.45 -0.781 . . . . 0.0 111.55 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.59 -41.52 94.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.424 1.09 . . . . 0.0 110.855 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.45 -49.4 77.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.424 1.09 . . . . 0.0 111.959 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.64 -32.8 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.681 0.792 . . . . 0.0 112.758 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.05 -38.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.931 0.892 . . . . 0.0 112.053 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -75.08 -31.31 61.18 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.234 1.013 . . . . 0.0 112.39 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.22 36.89 93.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.479 0.562 . . . . 0.0 113.189 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 62.35 25.05 14.95 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.011 1.724 . . . . 0.0 115.586 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -64.42 -16.55 62.58 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.453 1.101 . . . . 0.0 113.188 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.96 121.54 3.61 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 126.495 1.998 . . . . 0.0 112.69 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -152.24 159.99 43.44 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 112.142 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -98.49 -32.8 11.28 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.292 1.589 . . . . 0.0 115.292 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.5 p90 44.76 1.46 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 m -59.13 126.7 82.4 Favored Pre-proline 0 N--CA 1.475 0.787 0 CA-C-N 120.152 1.342 . . . . 0.0 111.752 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.82 106.23 1.95 Allowed 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.247 2.631 . . . . 0.0 110.79 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -137.9 161.69 35.98 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.09 1.756 . . . . 0.0 111.742 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -94.0 4.44 53.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.804 1.642 . . . . 0.0 114.526 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.0 -1.52 13.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.696 1.598 . . . . 0.0 114.298 -169.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.248 0.985 0 C-N-CA 127.251 2.22 . . . . 0.0 110.583 175.627 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.791 -0.124 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -42.87 -46.17 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.715 2.406 . . . . 0.0 115.877 -169.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -80.73 -19.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.16 -33.6 19.34 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.499 -0.751 . . . . 0.0 112.44 -172.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.25 -22.14 64.78 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -172.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.2 m -100.35 -20.8 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.357 1.463 . . . . 0.0 113.737 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.4 t -93.16 -37.7 11.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.919 0.888 . . . . 0.0 113.34 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -86.43 -23.15 26.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.343 1.057 . . . . 0.0 113.358 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -152.07 176.2 11.77 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.596 1.958 . . . . 0.0 109.483 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.15 147.12 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.366 -0.834 . . . . 0.0 112.266 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -133.78 168.14 19.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.907 1.283 . . . . 0.0 112.536 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -110.89 163.93 13.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.083 1.353 . . . . 0.0 114.32 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.61 -27.02 57.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.448 0.699 . . . . 0.0 112.547 169.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.73 -30.45 68.07 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.237 -0.914 . . . . 0.0 112.357 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -74.83 -34.9 62.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.245 1.018 . . . . 0.0 111.427 171.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.33 -38.25 81.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.4 -24.16 67.54 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.467 -1.395 . . . . 0.0 113.147 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.92 -35.63 69.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.197 -0.939 . . . . 0.0 112.211 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.33 -21.69 61.29 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.354 -0.841 . . . . 0.0 112.763 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -78.69 -1.29 33.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.239 1.816 . . . . 0.0 113.553 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.88 137.86 54.21 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.261 -1.525 . . . . 0.0 111.795 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 C-N-CA 125.318 1.437 . . . . 0.0 113.106 177.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.583 0.23 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -83.68 139.88 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.33 1.052 . . . . 0.0 112.335 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -85.88 40.49 0.86 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.472 1.509 . . . . 0.0 112.927 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -93.58 96.6 9.96 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.472 1.109 . . . . 0.0 113.948 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -92.06 114.98 27.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.733 1.613 . . . . 0.0 109.072 167.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.57 135.81 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.189 1.396 . . . . 0.0 110.013 173.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.04 157.96 44.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.943 0.897 . . . . 0.0 111.123 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 -136.42 49.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.88 0.752 . . . . 0.0 113.325 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.9 p -63.48 -23.0 67.21 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -70.41 -34.02 72.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.6 1.091 . . . . 0.0 111.671 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.94 -39.8 69.16 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.15 0.98 . . . . 0.0 111.48 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.91 -45.04 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.65 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.56 -47.41 81.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.909 0.884 . . . . 0.0 112.577 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.16 89.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.026 0.83 . . . . 0.0 111.945 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.01 -39.71 93.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.023 0.929 . . . . 0.0 112.547 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.15 -43.99 98.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.292 1.037 . . . . 0.0 110.842 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.26 -38.15 68.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.466 1.106 . . . . 0.0 113.022 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.97 -38.26 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 118.829 0.741 . . . . 0.0 111.764 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.59 -23.58 45.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.308 1.043 . . . . 0.0 113.155 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.42 32.71 85.09 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.114 0.864 . . . . 0.0 113.186 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 58.42 23.9 11.15 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.062 1.745 . . . . 0.0 114.876 -172.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -27.23 68.28 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.483 -1.386 . . . . 0.0 112.943 173.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.46 121.68 2.6 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 126.711 2.1 . . . . 0.0 111.982 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -140.87 159.97 41.07 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.07 -48.79 80.26 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.96 -1.087 . . . . 0.0 113.043 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.7 19.49 0.11 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -48.43 116.25 4.91 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 125.149 1.38 . . . . 0.0 111.909 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -78.4 148.46 23.65 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.997 2.465 . . . . 0.0 113.099 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -89.82 19.43 4.78 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.778 1.631 . . . . 0.0 113.467 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p -69.12 165.64 19.91 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.182 1.793 . . . . 0.0 112.591 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -63.85 116.09 5.46 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.778 0.831 . . . . 0.0 110.058 172.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.781 2.032 . . . . 0.0 111.499 -169.694 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt -34.79 -55.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 127.126 2.171 . . . . 0.0 114.893 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.3 -15.23 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.19 -33.84 13.14 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.517 1.127 . . . . 0.0 112.337 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.06 -38.79 80.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.146 0.885 . . . . 0.0 112.56 -171.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.25 -13.71 21.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.709 1.204 . . . . 0.0 113.815 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.35 -34.42 17.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.14 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.1 p -92.36 -17.76 24.23 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.215 1.406 . . . . 0.0 114.185 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -148.62 174.11 12.48 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.409 1.483 . . . . 0.0 111.273 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 pt -78.36 145.37 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.005 0.922 . . . . 0.0 112.674 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.05 152.97 48.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.574 1.55 . . . . 0.0 112.796 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 p -112.36 176.13 5.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.233 2.213 . . . . 0.0 111.354 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 mt -54.68 -36.5 64.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.521 0.728 . . . . 0.0 111.486 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.06 -33.11 61.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.064 1.345 . . . . 0.0 112.29 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -69.94 -27.67 64.94 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.619 -0.676 . . . . 0.0 112.159 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.57 -37.7 49.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.569 0.748 . . . . 0.0 112.339 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.15 -26.63 51.13 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.844 -1.16 . . . . 0.0 113.219 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -53.15 -30.57 37.71 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.77 1.628 . . . . 0.0 113.371 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -96.64 -0.72 48.08 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 113.142 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -99.23 -33.12 10.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.517 1.527 . . . . 0.0 111.473 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -153.06 131.13 11.86 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.011 1.324 . . . . 0.0 110.985 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.078 1.323 . . . . 0.0 113.174 178.117 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.11 130.87 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.801 1.641 . . . . 0.0 109.565 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -70.68 109.49 4.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -137.58 161.42 36.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.769 1.228 . . . . 0.0 114.105 -167.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -76.42 139.76 41.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.648 1.179 . . . . 0.0 111.73 171.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -144.14 135.55 25.73 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.722 2.009 . . . . 0.0 110.142 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -142.36 159.42 42.27 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.997 0.919 . . . . 0.0 111.218 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.43 -139.23 44.91 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.606 0.622 . . . . 0.0 113.173 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -66.62 -19.14 65.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -66.99 -37.86 84.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.912 1.233 . . . . 0.0 111.668 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -67.39 -40.37 85.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.367 1.067 . . . . 0.0 111.057 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.68 -42.96 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.525 0.73 . . . . 0.0 111.44 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.05 -43.48 87.35 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.928 0.785 . . . . 0.0 112.244 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.83 98.71 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.596 -0.69 . . . . 0.0 111.52 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.1 -39.24 91.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.458 0.703 . . . . 0.0 111.799 172.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -62.44 -42.9 99.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.356 0.98 . . . . 0.0 111.659 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.46 -35.75 75.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.196 0.999 . . . . 0.0 112.732 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.8 -44.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.223 1.009 . . . . 0.0 111.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -78.04 -26.59 48.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.782 0.833 . . . . 0.0 112.985 -175.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.55 64.93 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.046 1.308 . . . . 0.0 115.273 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.86 20.58 9.49 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.072 1.749 . . . . 0.0 115.528 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -21.28 64.14 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.684 -1.26 . . . . 0.0 112.859 169.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.3 127.46 3.76 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.5 2.0 . . . . 0.0 112.094 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -75.81 156.89 34.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.165 1.386 . . . . 0.0 112.506 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -116.72 -0.72 12.27 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.893 2.077 . . . . 0.0 112.88 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 29.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.685 2.394 . . . . 0.0 116.974 -173.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.9 m -47.73 131.55 11.18 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 127.869 2.467 . . . . 0.0 112.71 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -62.73 132.81 39.1 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.797 2.331 . . . . 0.0 111.154 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 56.34 16.76 2.54 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.111 1.764 . . . . 0.0 114.836 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.296 3.6 t 49.84 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.997 2.519 . . . . 0.0 114.992 -173.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -65.54 142.71 58.02 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.332 1.453 . . . . 0.0 110.53 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.599 1.56 . . . . 0.0 112.249 -175.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 N-CA-C 112.617 -0.193 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -44.28 -60.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 127.16 2.184 . . . . 0.0 113.71 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -77.93 -9.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -93.63 -37.78 11.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.146 1.379 . . . . 0.0 111.079 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -70.06 -26.71 64.14 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 m -93.22 -15.04 26.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 170.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.4 t -92.41 -33.51 14.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.968 0.907 . . . . 0.0 112.805 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -98.58 -18.77 17.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.535 1.534 . . . . 0.0 113.753 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 m -138.04 158.08 45.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.175 2.19 . . . . 0.0 109.539 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 pt -60.81 140.09 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.652 -0.655 . . . . 0.0 112.561 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.92 164.73 17.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.606 1.162 . . . . 0.0 112.528 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 t -152.68 144.77 23.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.387 1.075 . . . . 0.0 111.109 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -53.59 -32.45 51.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.631 1.173 . . . . 0.0 111.714 171.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -74.21 -33.64 63.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.65 0.78 . . . . 0.0 112.398 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -77.68 -32.53 53.18 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.822 -0.549 . . . . 0.0 111.756 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.35 -43.23 98.3 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.336 -0.853 . . . . 0.0 110.876 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.15 -33.29 74.22 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.451 -1.405 . . . . 0.0 112.787 170.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.24 -38.6 91.81 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.387 -0.82 . . . . 0.0 111.027 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -70.38 -32.42 70.07 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.326 -0.858 . . . . 0.0 112.487 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.6 m -66.67 -40.59 88.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.882 0.765 . . . . 0.0 112.154 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -90.86 -36.43 14.2 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 C-N-CA 125.828 1.68 . . . . 0.0 112.029 176.318 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.664 0.268 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.63 133.31 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.634 1.173 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.23 58.97 2.17 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.502 1.521 . . . . 0.0 113.267 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -123.4 151.78 42.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.326 1.45 . . . . 0.0 113.285 -174.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -81.5 153.23 26.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.201 1.4 . . . . 0.0 111.873 169.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -138.67 136.76 36.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.028 1.731 . . . . 0.0 109.482 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -145.37 159.68 42.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.723 0.809 . . . . 0.0 111.426 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.55 -141.03 42.48 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.754 0.692 . . . . 0.0 113.17 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.6 p -64.19 -22.6 67.0 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -64.92 -40.85 95.7 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.57 1.077 . . . . 0.0 111.303 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.26 -40.8 74.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.783 0.833 . . . . 0.0 111.517 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.11 -43.7 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.108 0.563 . . . . 0.0 110.717 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.92 -42.9 89.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.237 0.926 . . . . 0.0 112.164 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.37 97.97 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.444 -0.785 . . . . 0.0 111.7 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.23 -40.78 98.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.765 0.826 . . . . 0.0 111.735 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.26 -42.82 92.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.034 0.934 . . . . 0.0 111.82 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.88 -34.07 68.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.506 1.122 . . . . 0.0 113.049 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.33 -39.65 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.709 0.803 . . . . 0.0 112.218 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -74.8 -36.04 62.47 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.224 0.92 . . . . 0.0 111.679 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.27 55.63 5.57 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.21 0.909 . . . . 0.0 113.282 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.35 37.33 25.9 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.941 1.296 . . . . 0.0 113.473 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.56 -12.41 60.21 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -170.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.07 32.87 30.85 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.878 0.751 . . . . 0.0 113.072 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -72.58 172.38 10.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.268 1.827 . . . . 0.0 112.425 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.01 132.08 46.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.068 1.347 . . . . 0.0 110.793 169.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -84.77 -18.05 36.3 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.861 0.864 . . . . 0.0 112.836 173.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.7 m -60.96 137.8 93.92 Favored Pre-proline 0 N--CA 1.473 0.695 0 C-N-CA 124.554 1.142 . . . . 0.0 110.598 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.58 135.36 55.5 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.207 2.605 . . . . 0.0 113.135 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -14.65 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.52 1.128 . . . . 0.0 113.524 -169.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -83.82 156.18 22.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.764 1.626 . . . . 0.0 112.782 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -144.57 144.41 31.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.671 1.588 . . . . 0.0 111.018 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.178 1.791 . . . . 0.0 111.423 177.579 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 CA-C-O 121.065 0.258 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.26 -52.54 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.49 1.916 . . . . 0.0 114.733 -172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -73.23 -29.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -74.6 -27.78 60.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.026 0.931 . . . . 0.0 112.25 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -52.34 -32.15 36.84 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.774 1.63 . . . . 0.0 113.273 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 -17.58 8.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -87.78 -18.8 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.552 1.069 . . . . 0.0 113.335 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -132.49 -41.18 0.97 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.458 1.103 . . . . 0.0 111.504 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.5 m -83.71 176.44 8.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.278 1.031 . . . . 0.0 110.202 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 pt -102.76 139.5 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.476 1.11 . . . . 0.0 111.358 170.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.69 151.96 32.76 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -171.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 p -110.72 162.4 14.8 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.381 1.472 . . . . 0.0 113.217 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.27 -34.79 74.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.518 0.727 . . . . 0.0 110.823 170.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.97 -33.85 76.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.006 0.922 . . . . 0.0 112.416 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -73.64 -38.1 65.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.177 0.991 . . . . 0.0 111.762 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.03 -32.58 74.14 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.203 -0.935 . . . . 0.0 112.434 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.89 -30.54 71.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.687 0.795 . . . . 0.0 112.862 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -66.23 -26.93 67.6 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.284 0.947 . . . . 0.0 112.464 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.15 -8.34 53.89 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.343 1.057 . . . . 0.0 113.825 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.29 150.01 49.5 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.987 -1.071 . . . . 0.0 112.33 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 11.99 3.11 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 126.542 1.937 . . . . 0.0 115.618 -174.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.138 0 C-N-CA 125.062 1.315 . . . . 0.0 113.402 177.328 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 p90 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.26 -8.74 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -76.89 55.37 1.09 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 128.294 2.638 . . . . 0.0 111.947 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -135.27 150.64 50.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.735 1.614 . . . . 0.0 112.701 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -119.01 153.07 35.27 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.916 1.286 . . . . 0.0 112.378 169.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.3 mt -156.8 150.28 24.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.891 2.476 . . . . 0.0 109.457 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -147.39 159.55 43.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.302 -0.873 . . . . 0.0 111.983 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.08 -136.07 50.92 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.927 0.775 . . . . 0.0 113.43 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -62.26 -22.79 66.27 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -70.17 -36.41 74.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.816 1.189 . . . . 0.0 111.694 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -73.01 -37.84 66.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.095 0.958 . . . . 0.0 111.169 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.11 -42.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.757 -0.589 . . . . 0.0 111.347 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.52 -37.9 89.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.587 1.085 . . . . 0.0 112.31 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.08 94.38 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.384 -0.822 . . . . 0.0 111.857 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.07 -44.64 83.27 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.708 1.203 . . . . 0.0 110.539 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.04 -46.42 90.79 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.63 1.572 . . . . 0.0 112.096 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.6 -34.15 64.93 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.599 1.16 . . . . 0.0 112.665 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -74.16 -38.83 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.042 0.937 . . . . 0.0 111.643 175.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -70.79 -29.82 66.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.799 0.84 . . . . 0.0 111.964 173.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.29 45.62 8.69 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 124.746 1.165 . . . . 0.0 113.864 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 58.93 27.19 15.91 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.153 1.381 . . . . 0.0 113.954 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -19.95 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.778 -1.202 . . . . 0.0 113.959 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 126.21 1.41 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.243 1.401 . . . . 0.0 111.094 -171.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.04 172.15 18.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.457 1.103 . . . . 0.0 112.301 -169.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.8 150.57 44.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.07 1.748 . . . . 0.0 108.76 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -79.94 53.32 1.66 Allowed 'General case' 0 CA--C 1.55 0.973 0 CA-C-O 123.114 1.435 . . . . 0.0 111.761 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.3 m -76.56 136.27 67.91 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 126.477 1.911 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -59.14 -38.41 86.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.829 2.353 . . . . 0.0 116.141 -174.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm 44.14 46.35 7.25 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.377 1.471 . . . . 0.0 113.512 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.0 m -58.54 136.25 57.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.234 1.414 . . . . 0.0 111.089 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -120.07 143.64 48.01 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.199 1.4 . . . . 0.0 112.246 -170.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.7 2.4 . . . . 0.0 113.366 -179.418 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -49.77 -41.51 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.551 1.14 . . . . 0.0 113.322 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.31 -21.83 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.285 1.434 . . . . 0.0 113.806 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.0 -50.46 5.09 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.649 1.179 . . . . 0.0 110.312 170.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 -31.45 72.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.628 0.974 . . . . 0.0 113.628 -169.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.6 m -95.81 -9.67 30.98 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -107.06 -40.43 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.834 0.854 . . . . 0.0 112.616 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -80.46 -17.55 51.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.23 1.012 . . . . 0.0 113.554 172.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -146.43 -179.69 6.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.087 1.755 . . . . 0.0 111.367 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.37 153.32 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.018 0.927 . . . . 0.0 113.467 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 m -135.55 156.57 48.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.752 1.621 . . . . 0.0 112.123 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -149.87 170.38 18.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.618 1.967 . . . . 0.0 109.931 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.84 -40.23 55.44 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.56 1.544 . . . . 0.0 112.439 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -65.32 -28.25 69.17 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -91.24 -29.66 17.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.309 1.044 . . . . 0.0 112.205 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.83 -37.39 87.45 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.201 -0.937 . . . . 0.0 111.089 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -25.71 67.08 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.649 -1.282 . . . . 0.0 112.976 170.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -67.01 -35.7 80.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.095 0.958 . . . . 0.0 112.268 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -78.02 -30.42 49.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.569 -0.707 . . . . 0.0 112.044 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.2 t -74.55 -32.28 62.38 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.125 1.37 . . . . 0.0 113.488 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -68.54 150.9 47.5 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.612 1.165 . . . . 0.0 112.386 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.085 1.326 . . . . 0.0 113.011 -179.19 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.73 6.87 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -60.13 98.91 0.06 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.325 1.85 . . . . 0.0 111.066 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -136.68 159.14 42.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.674 1.19 . . . . 0.0 113.625 -169.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -82.49 145.25 29.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.469 0.707 . . . . 0.0 110.321 169.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -140.83 153.84 45.95 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.206 2.202 . . . . 0.0 109.392 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 172.22 15.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.067 -1.021 . . . . 0.0 111.07 173.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.23 -136.85 49.4 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 121.791 -0.568 . . . . 0.0 112.663 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -74.68 -21.45 59.4 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -64.52 -33.27 75.51 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.454 1.479 . . . . 0.0 112.057 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.98 -32.93 74.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.019 1.728 . . . . 0.0 112.313 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.56 -36.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.258 1.023 . . . . 0.0 111.081 170.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.33 -37.12 84.62 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.547 1.139 . . . . 0.0 112.734 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.18 93.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.262 -0.899 . . . . 0.0 111.987 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -38.77 92.26 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.944 0.898 . . . . 0.0 110.793 170.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.42 -33.01 74.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.443 1.097 . . . . 0.0 112.938 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.04 -25.74 43.19 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.733 -1.229 . . . . 0.0 113.015 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.6 t -81.01 -35.58 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.37 1.068 . . . . 0.0 112.526 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 m -145.04 -3.49 0.76 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -171.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.33 -15.33 58.84 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.474 -1.391 . . . . 0.0 114.998 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.71 -24.8 44.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.973 0.887 . . . . 0.0 112.299 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -85.77 -37.75 18.97 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.433 1.493 . . . . 0.0 111.533 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.05 145.04 16.99 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.793 1.663 . . . . 0.0 112.351 -170.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -158.44 167.43 29.67 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.481 1.512 . . . . 0.0 111.611 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -144.15 141.0 29.71 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.04 1.336 . . . . 0.0 109.425 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -117.79 -7.36 10.98 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 80.1 m -93.02 116.75 67.0 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-N 119.515 1.052 . . . . 0.0 110.689 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.32 -11.97 20.9 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.331 2.687 . . . . 0.0 114.292 -171.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -71.72 -12.85 61.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.877 1.671 . . . . 0.0 114.125 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 152.34 38.03 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 167.3 27.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.85 1.66 . . . . 0.0 112.593 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.695 1.598 . . . . 0.0 113.696 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt -37.46 -57.17 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 127.333 2.253 . . . . 0.0 115.143 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 m -65.95 -14.58 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -104.0 -36.01 7.9 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 111.958 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.88 -34.0 72.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.669 1.187 . . . . 0.0 113.637 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.5 t -96.76 -12.93 23.04 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.065 1.346 . . . . 0.0 113.221 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -92.79 -41.69 9.97 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 0.0 113.334 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.73 -17.91 24.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.88 1.272 . . . . 0.0 113.911 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -138.09 165.68 26.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.497 1.919 . . . . 0.0 111.096 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.5 pt -66.01 149.95 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.05 154.94 43.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.887 1.275 . . . . 0.0 113.649 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -135.16 171.09 14.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.978 2.111 . . . . 0.0 111.821 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.56 -34.22 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.665 -0.647 . . . . 0.0 112.71 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -71.35 -32.06 68.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.602 0.761 . . . . 0.0 112.181 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -74.25 -37.25 63.84 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.552 0.741 . . . . 0.0 111.715 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.37 -43.69 76.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.98 0.912 . . . . 0.0 112.313 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.26 -21.7 49.55 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.941 -1.099 . . . . 0.0 113.958 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -65.13 -24.45 67.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.252 1.021 . . . . 0.0 112.982 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.95 -13.38 41.96 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.0 m -91.47 154.61 19.02 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.321 1.449 . . . . 0.0 114.574 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 52.17 -157.18 0.14 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.764 2.425 . . . . 0.0 113.986 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.215 0 C-N-CA 125.17 1.367 . . . . 0.0 112.86 -177.596 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.17 148.92 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.064 0.945 . . . . 0.0 113.169 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -76.85 84.31 3.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.527 1.131 . . . . 0.0 109.659 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -134.05 127.69 32.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.962 1.305 . . . . 0.0 112.339 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -115.61 153.72 30.75 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.353 1.861 . . . . 0.0 109.732 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.8 mt -139.6 144.09 37.59 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.885 1.274 . . . . 0.0 110.592 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -143.12 162.71 34.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.884 0.874 . . . . 0.0 111.254 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -139.31 48.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 123.514 0.578 . . . . 0.0 112.785 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.7 p -67.83 -20.72 65.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.68 -36.95 83.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.782 1.174 . . . . 0.0 111.7 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.16 -45.26 92.69 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.752 1.221 . . . . 0.0 110.938 173.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.09 -41.81 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.035 0.934 . . . . 0.0 111.165 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -66.26 -42.09 88.98 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.045 0.938 . . . . 0.0 111.615 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.67 99.7 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.171 0.442 . . . . 0.0 111.75 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.41 -41.4 93.83 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.849 0.75 . . . . 0.0 111.915 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -48.74 80.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.896 1.279 . . . . 0.0 111.706 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.66 -32.65 60.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.179 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.61 -43.83 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.301 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -87.9 -25.04 23.44 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.19 45.16 20.63 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.057 0.837 . . . . 0.0 113.446 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 56.59 47.28 18.82 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.395 1.478 . . . . 0.0 113.052 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -106.02 17.08 24.13 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 126.585 1.954 . . . . 0.0 114.069 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.65 132.34 1.73 Allowed Glycine 0 N--CA 1.469 0.863 0 C-N-CA 126.276 1.893 . . . . 0.0 112.999 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.35 169.14 22.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.543 1.537 . . . . 0.0 111.317 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -141.67 144.19 33.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.105 0.962 . . . . 0.0 111.222 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -129.79 11.24 5.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.896 1.278 . . . . 0.0 113.886 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m 49.84 59.12 17.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.409 1.883 . . . . 0.0 114.851 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.66 -13.68 32.61 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 123.078 2.519 . . . . 0.0 114.109 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.74 -29.31 64.39 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.102 1.361 . . . . 0.0 113.639 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 77.0 p -91.45 163.43 14.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 112.928 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -118.0 153.95 32.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.879 1.672 . . . . 0.0 111.634 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 52.7 ptt85 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.138 1.775 . . . . 0.0 112.509 178.562 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -55.16 -44.43 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -61.95 -24.06 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -94.98 -47.95 6.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.01 0.924 . . . . 0.0 110.819 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.18 -33.77 76.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.42 -10.7 26.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -102.82 -32.18 9.93 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.927 0.785 . . . . 0.0 112.665 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -90.44 -14.6 32.53 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -144.13 166.93 23.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 111.034 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 pt -64.06 144.67 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.097 0.559 . . . . 0.0 112.386 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.54 153.57 39.06 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.961 1.304 . . . . 0.0 112.823 169.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -147.39 167.54 24.11 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.982 2.513 . . . . 0.0 108.674 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.74 -35.32 55.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -67.05 -22.88 65.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -84.71 -37.27 21.13 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.348 1.059 . . . . 0.0 111.892 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.67 -42.34 99.57 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.702 1.137 . . . . 0.0 111.498 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -16.81 60.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.745 1.218 . . . . 0.0 113.863 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -68.78 -24.15 64.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.385 -0.822 . . . . 0.0 112.681 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.77 -30.36 16.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.39 159.76 26.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 60.46 -34.58 0.08 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 130.334 3.454 . . . . 0.0 118.192 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.155 0 C-N-CA 125.944 1.735 . . . . 0.0 113.657 -177.164 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.5 t80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.486 0.184 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.3 m -69.09 153.6 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.904 0.881 . . . . 0.0 113.086 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -134.34 83.09 2.01 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.483 1.513 . . . . 0.0 108.553 170.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -144.51 163.92 32.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.873 1.269 . . . . 0.0 112.306 -169.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -82.21 143.85 31.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 168.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.33 151.58 51.79 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.073 1.749 . . . . 0.0 109.463 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 169.59 18.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 110.334 171.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.88 -133.29 52.76 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 121.598 -0.688 . . . . 0.0 113.098 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -73.79 -24.36 59.82 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -67.89 -32.4 72.86 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.72 1.6 . . . . 0.0 112.552 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.26 -34.76 78.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.42 1.088 . . . . 0.0 111.664 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.62 -39.28 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.88 1.272 . . . . 0.0 110.986 170.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -62.23 -37.38 85.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.397 1.479 . . . . 0.0 112.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.88 90.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.111 0.869 . . . . 0.0 111.843 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.77 -33.79 75.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.18 0.992 . . . . 0.0 111.74 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.29 -42.93 82.93 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.337 1.055 . . . . 0.0 111.887 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.97 -28.59 57.94 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.837 -1.164 . . . . 0.0 112.879 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.81 -31.15 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.573 1.149 . . . . 0.0 112.213 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.3 m -144.57 2.74 1.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -169.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.93 -19.52 37.52 Favored Glycine 0 N--CA 1.48 1.6 0 CA-C-N 120.07 1.305 . . . . 0.0 116.115 -174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -103.86 -8.54 19.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.396 1.479 . . . . 0.0 113.707 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -105.58 -11.63 16.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.25 2.62 . . . . 0.0 113.298 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.54 121.44 4.9 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.356 1.931 . . . . 0.0 113.044 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.92 -40.22 94.72 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 t80 61.17 -32.58 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.886 2.474 . . . . 0.0 114.87 -166.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.19 113.39 0.79 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.722 1.609 . . . . 0.0 114.316 -172.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -117.77 141.82 29.69 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 126.093 1.757 . . . . 0.0 111.092 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.65 152.32 69.86 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.927 2.418 . . . . 0.0 112.763 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -76.52 175.29 9.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.413 1.485 . . . . 0.0 112.955 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 80.9 p -73.49 178.67 4.49 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.056 1.742 . . . . 0.0 111.823 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -70.36 2.69 3.57 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 126.178 1.791 . . . . 0.0 112.606 179.02 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.35 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.422 1.889 . . . . 0.0 114.856 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.53 -28.51 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.82 -29.65 64.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -166.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -61.21 -36.99 81.41 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.782 1.174 . . . . 0.0 111.832 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.06 -20.67 18.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.631 1.173 . . . . 0.0 113.129 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -86.0 -28.32 24.27 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.345 -0.847 . . . . 0.0 112.518 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -106.13 -11.24 16.16 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -146.39 179.53 7.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.688 1.595 . . . . 0.0 111.401 173.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 pt -74.07 -24.45 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p 47.96 -167.21 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.549 2.74 . . . . 0.0 115.219 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -151.03 164.26 36.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.052 0.941 . . . . 0.0 112.377 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.61 -29.94 62.69 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.648 0.779 . . . . 0.0 112.822 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -64.89 -25.29 67.82 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.488 0.715 . . . . 0.0 112.893 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -84.08 -31.28 25.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.37 1.068 . . . . 0.0 112.019 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.44 -39.65 85.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.987 0.515 . . . . 0.0 111.007 169.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.48 -20.95 66.51 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.853 -1.154 . . . . 0.0 113.263 173.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -73.99 -28.94 61.7 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.05 0.841 . . . . 0.0 112.756 171.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.89 -26.14 43.88 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.862 0.865 . . . . 0.0 112.766 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.9 t -71.34 155.92 40.11 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.385 1.474 . . . . 0.0 112.316 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.88 136.74 56.53 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.451 1.1 . . . . 0.0 112.516 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 C-N-CA 125.542 1.544 . . . . 0.0 113.242 177.631 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.17 -4.63 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . 0.251 0.9 OUTLIER 47.67 36.75 5.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.074 2.55 . . . . 0.0 115.087 174.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -148.32 159.29 44.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.986 0.914 . . . . 0.0 112.46 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.75 139.64 57.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.727 0.811 . . . . 0.0 112.584 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.09 134.95 30.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.69 1.996 . . . . 0.0 110.079 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -141.73 151.97 43.41 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.327 1.051 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.91 -135.54 48.98 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 123.413 0.53 . . . . 0.0 113.51 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -59.32 -26.45 65.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -68.39 -36.25 78.87 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.125 -0.984 . . . . 0.0 111.647 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 tp -73.41 -37.35 65.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.365 0.666 . . . . 0.0 111.49 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.92 -39.91 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.065 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -42.81 99.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.775 1.171 . . . . 0.0 112.32 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.06 81.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.628 -0.67 . . . . 0.0 112.196 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.85 -40.56 80.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.55 1.14 . . . . 0.0 111.95 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.28 -43.03 99.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.476 1.11 . . . . 0.0 111.558 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.7 mt -74.62 -36.48 62.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.712 1.205 . . . . 0.0 112.812 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.33 -39.82 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.974 0.806 . . . . 0.0 111.717 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 t -78.56 -29.78 46.5 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.0 113.234 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.69 44.48 81.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.775 0.702 . . . . 0.0 113.496 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.78 16.82 9.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -74.25 -7.69 53.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.448 1.499 . . . . 0.0 114.24 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.84 145.4 8.27 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.486 1.517 . . . . 0.0 113.089 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -146.28 162.93 37.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.44 1.096 . . . . 0.0 113.406 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.77 -25.33 60.1 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -170.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -29.54 121.39 0.15 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.8 t -130.71 141.66 42.74 Favored Pre-proline 0 N--CA 1.471 0.605 0 C-N-CA 126.177 1.791 . . . . 0.0 110.933 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -7.99 20.04 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.526 2.817 . . . . 0.0 114.583 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -138.37 139.81 39.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.299 1.44 . . . . 0.0 111.806 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.0 p -88.36 161.51 17.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.518 1.527 . . . . 0.0 112.597 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.65 -32.72 70.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.208 1.003 . . . . 0.0 113.35 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.683 1.993 . . . . 0.0 111.228 178.744 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp -35.83 -56.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 127.502 2.321 . . . . 0.0 114.446 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 -1.06 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -170.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.46 -28.08 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.098 -1.001 . . . . 0.0 112.29 169.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -61.8 -32.35 72.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.596 1.158 . . . . 0.0 112.633 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.01 -20.0 15.58 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -98.07 -49.93 4.57 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -96.57 -29.52 13.81 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.708 0.686 . . . . 0.0 112.34 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -99.92 170.24 8.65 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.058 1.343 . . . . 0.0 111.047 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.87 139.59 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 110.05 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.1 177.38 7.91 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -142.47 170.36 15.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.219 1.408 . . . . 0.0 112.222 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.93 -39.81 66.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.471 1.508 . . . . 0.0 111.52 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -67.1 -20.39 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.927 1.291 . . . . 0.0 113.657 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -88.29 -36.57 16.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.367 1.067 . . . . 0.0 111.245 170.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.3 -31.08 71.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.449 0.699 . . . . 0.0 112.514 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.62 -24.68 64.02 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -69.76 -18.25 63.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.112 0.965 . . . . 0.0 112.803 -178.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.1 -6.48 24.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.714 1.206 . . . . 0.0 113.419 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.4 156.55 25.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.43 1.092 . . . . 0.0 112.596 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -65.04 152.1 44.33 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.435 1.494 . . . . 0.0 111.948 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-O 118.028 -1.429 . . . . 0.0 112.563 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.4 m -71.64 -19.45 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 43.02 54.04 4.95 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.143 2.577 . . . . 0.0 112.871 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -123.98 146.35 48.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.15 1.38 . . . . 0.0 113.831 -167.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -102.74 136.36 42.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.034 1.334 . . . . 0.0 109.857 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -150.53 131.75 14.5 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.82 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.9 m -136.89 165.64 25.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.712 1.205 . . . . 0.0 112.075 -169.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.58 -140.43 45.66 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.108 0.861 . . . . 0.0 114.376 169.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -66.5 -24.08 66.35 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -64.39 -38.83 92.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.86 0.755 . . . . 0.0 111.192 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.48 -41.7 88.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.328 1.051 . . . . 0.0 111.817 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -61.79 -44.94 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.262 0.625 . . . . 0.0 110.882 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.71 -42.35 99.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.814 0.846 . . . . 0.0 112.31 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.89 95.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.18 -0.95 . . . . 0.0 112.163 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.3 98.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.681 0.792 . . . . 0.0 111.073 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.04 -48.09 79.37 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.727 1.611 . . . . 0.0 111.517 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.13 -31.97 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.043 0.937 . . . . 0.0 113.019 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.74 -42.76 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.393 174.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 60.4 m -75.1 -33.29 61.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.46 53.96 11.73 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.685 0.675 . . . . 0.0 113.709 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 58.89 41.69 20.88 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.35 1.46 . . . . 0.0 114.005 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -108.35 -3.45 18.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.404 1.882 . . . . 0.0 114.387 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 149.3 9.61 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.275 1.417 . . . . 0.0 112.509 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -163.98 168.88 18.76 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.856 1.262 . . . . 0.0 112.651 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -113.91 140.65 48.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.295 1.438 . . . . 0.0 111.222 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -136.52 18.89 3.11 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.6 m 53.65 67.56 3.53 Favored Pre-proline 0 N--CA 1.481 1.077 0 C-N-CA 125.56 1.544 . . . . 0.0 112.787 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.46 -15.18 19.89 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.799 2.999 . . . . 0.0 114.543 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.86 161.12 41.93 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -171.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 65.93 0.13 1.49 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 126.917 2.087 . . . . 0.0 116.503 169.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -154.38 148.81 26.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.968 1.707 . . . . 0.0 110.605 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 127.398 2.279 . . . . 0.0 113.047 -173.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.477 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.15 -54.45 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.497 1.919 . . . . 0.0 113.411 -173.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -83.26 -33.62 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.021 0.928 . . . . 0.0 111.85 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.83 -32.85 73.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.306 1.442 . . . . 0.0 112.806 -175.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -58.27 -23.21 55.44 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.782 1.233 . . . . 0.0 113.571 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -18.86 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 172.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.5 t -82.73 -20.39 36.08 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.253 0.933 . . . . 0.0 113.334 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -133.5 -40.18 0.89 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.197 0.999 . . . . 0.0 111.489 169.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -82.93 178.11 8.32 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.21 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 pt -102.63 148.5 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.763 1.225 . . . . 0.0 111.629 174.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -134.6 160.81 36.92 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -133.3 170.75 14.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.933 2.093 . . . . 0.0 110.328 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -52.54 -33.16 44.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -68.11 -22.64 64.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.872 0.869 . . . . 0.0 112.849 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -79.71 -42.89 23.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.95 0.9 . . . . 0.0 111.011 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.02 -40.75 96.76 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.959 0.8 . . . . 0.0 111.965 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.37 -13.8 15.16 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -73.47 -21.67 60.38 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.056 -1.028 . . . . 0.0 113.115 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.39 -3.37 33.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -171.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -118.13 168.45 10.56 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -175.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -64.5 164.05 12.32 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.261 2.224 . . . . 0.0 112.867 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.256 0 C-N-CA 125.78 1.657 . . . . 0.0 112.514 172.352 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.597 0.237 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.52 164.47 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.624 1.169 . . . . 0.0 112.537 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.69 37.02 2.65 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.565 1.146 . . . . 0.0 111.006 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -90.16 153.92 20.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.303 1.441 . . . . 0.0 113.053 -172.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -124.78 156.12 38.26 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.327 1.451 . . . . 0.0 112.336 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -154.12 146.11 23.59 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.434 2.294 . . . . 0.0 109.895 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.82 160.23 42.98 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.633 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -132.31 46.02 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.022 0.82 . . . . 0.0 113.469 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -63.32 -23.21 67.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -70.93 -37.85 72.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.659 1.118 . . . . 0.0 111.59 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.4 -38.92 71.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.247 1.019 . . . . 0.0 111.418 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.41 -45.57 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.798 0.839 . . . . 0.0 111.295 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.64 -40.92 98.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.35 0.977 . . . . 0.0 112.016 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.0 96.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.672 -0.643 . . . . 0.0 111.874 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.73 -41.5 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.845 0.858 . . . . 0.0 112.296 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.73 -47.43 86.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.481 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.98 -31.9 30.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.426 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -65.26 -46.4 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.015 0.825 . . . . 0.0 110.644 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.89 -24.35 28.53 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.51 53.38 4.38 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.702 1.144 . . . . 0.0 112.764 173.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 59.58 31.96 21.29 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.279 1.432 . . . . 0.0 113.87 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -71.46 -20.05 62.14 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.951 1.3 . . . . 0.0 114.462 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.84 135.12 7.87 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.881 1.705 . . . . 0.0 110.362 -167.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -157.46 168.26 27.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.927 0.891 . . . . 0.0 113.015 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -122.02 135.5 54.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.342 1.457 . . . . 0.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -134.04 -0.95 3.01 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.6 m -85.63 125.16 70.03 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 121.116 -0.99 . . . . 0.0 111.026 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.42 153.22 50.07 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.966 2.444 . . . . 0.0 112.733 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.78 50.24 1.32 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.616 1.566 . . . . 0.0 112.115 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -81.58 162.01 23.3 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.594 1.558 . . . . 0.0 112.989 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.95 -174.81 0.08 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.024 2.129 . . . . 0.0 114.301 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 . . . . . 0 C--O 1.251 1.138 0 C-N-CA 126.969 2.108 . . . . 0.0 111.47 -177.096 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.71 -31.13 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.289 1.045 . . . . 0.0 112.878 -173.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.06 -28.61 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 120.976 -1.077 . . . . 0.0 112.14 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.51 -34.3 63.01 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.55 -0.719 . . . . 0.0 111.601 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.92 -44.13 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.04 0.836 . . . . 0.0 113.11 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -82.01 -20.84 37.6 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -76.0 -37.6 58.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.718 0.807 . . . . 0.0 111.69 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -101.03 -14.27 17.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.484 1.514 . . . . 0.0 114.307 -174.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.61 177.39 8.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.783 1.633 . . . . 0.0 111.939 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.78 145.37 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.219 1.007 . . . . 0.0 112.755 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -142.92 167.45 22.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 113.564 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -136.81 177.94 7.46 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.521 1.928 . . . . 0.0 112.026 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.76 -29.6 28.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 170.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -73.89 -29.91 62.33 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.357 -0.84 . . . . 0.0 112.422 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -81.05 -26.1 36.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.553 0.741 . . . . 0.0 112.585 169.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.99 -38.28 75.97 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.963 -1.085 . . . . 0.0 111.169 169.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -67.88 -12.03 59.86 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 119.867 -1.771 . . . . 0.0 113.705 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.94 -24.25 60.78 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.911 -1.118 . . . . 0.0 112.813 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.58 -20.58 31.25 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.086 -1.009 . . . . 0.0 112.866 169.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.7 t -83.83 154.66 23.36 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.891 1.676 . . . . 0.0 113.636 -171.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -68.74 140.3 55.36 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.497 1.919 . . . . 0.0 112.069 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.307 0 CA-C-O 118.054 -1.414 . . . . 0.0 112.956 -179.182 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.86 148.59 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.924 0.89 . . . . 0.0 113.147 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -82.37 61.6 5.64 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.078 1.351 . . . . 0.0 110.859 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -107.3 134.95 49.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 113.804 -168.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.16 142.26 27.69 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.329 1.451 . . . . 0.0 108.698 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.68 128.68 13.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.122 0.969 . . . . 0.0 110.876 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -136.79 165.01 26.93 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.736 0.815 . . . . 0.0 112.742 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.94 -138.22 49.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.211 0.91 . . . . 0.0 114.322 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.2 p -66.52 -22.05 66.17 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -69.28 -39.77 78.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.371 0.987 . . . . 0.0 111.213 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.34 -47.18 87.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.445 1.098 . . . . 0.0 110.613 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.44 -37.38 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.317 0.647 . . . . 0.0 112.189 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.79 -45.96 69.95 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.525 1.057 . . . . 0.0 111.998 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.48 99.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.686 -0.634 . . . . 0.0 111.749 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.33 -41.09 88.31 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.661 1.184 . . . . 0.0 111.835 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -44.64 96.89 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.449 1.022 . . . . 0.0 111.413 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.16 -35.24 68.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.54 1.136 . . . . 0.0 112.941 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.98 -38.58 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.29 1.036 . . . . 0.0 111.756 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.59 -27.5 55.82 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.423 -0.798 . . . . 0.0 112.59 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.7 42.15 99.71 Favored Glycine 0 CA--C 1.534 1.221 0 O-C-N 121.476 -0.765 . . . . 0.0 112.664 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.354 10.8 pt-20 53.69 26.34 5.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.429 2.291 . . . . 0.0 116.947 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -64.82 -16.66 63.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.627 1.171 . . . . 0.0 112.798 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.19 138.06 9.65 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.602 2.049 . . . . 0.0 112.003 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -150.9 158.28 43.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.098 0.959 . . . . 0.0 112.928 -174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -86.57 134.32 33.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.251 1.02 . . . . 0.0 111.119 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -142.7 137.38 29.83 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.334 1.054 . . . . 0.0 110.647 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -147.13 44.1 0.37 Allowed Pre-proline 0 N--CA 1.48 1.031 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.04 -16.91 40.97 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 123.522 2.815 . . . . 0.0 114.724 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.22 135.19 41.03 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.211 1.404 . . . . 0.0 110.451 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -61.94 -40.86 96.98 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.149 1.38 . . . . 0.0 113.492 -170.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.56 -137.63 0.91 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.938 1.695 . . . . 0.0 112.302 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.895 2.078 . . . . 0.0 112.059 177.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 CA-C-O 119.427 -0.652 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.307 9.6 tp 56.17 -46.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 1 C-N-CA 131.889 4.076 . . . . 0.0 117.758 171.254 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.32 -24.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.62 -36.43 51.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.768 0.713 . . . . 0.0 112.702 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.8 -44.04 97.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.233 1.013 . . . . 0.0 112.067 -171.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -82.43 -14.59 54.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.238 1.015 . . . . 0.0 113.683 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -86.37 -37.02 18.84 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.552 0.741 . . . . 0.0 111.783 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -92.45 -18.6 23.01 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.421 1.488 . . . . 0.0 114.449 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -142.44 179.46 6.93 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.389 1.876 . . . . 0.0 111.296 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -75.84 152.52 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.207 -0.933 . . . . 0.0 112.058 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 m -133.61 128.19 34.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -95.43 167.41 11.34 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.83 1.652 . . . . 0.0 110.614 168.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -54.87 -31.15 59.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -69.33 -28.5 66.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.491 -0.755 . . . . 0.0 113.026 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.89 -30.72 56.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.437 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.33 -38.15 42.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.939 0.896 . . . . 0.0 112.109 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.3 -22.86 66.37 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.305 -1.497 . . . . 0.0 113.394 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.4 -34.46 77.79 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.324 -0.86 . . . . 0.0 112.255 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.48 -36.66 44.88 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.075 0.95 . . . . 0.0 111.648 171.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.95 -36.99 83.05 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.209 0.603 . . . . 0.0 112.283 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -89.02 12.99 13.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.298 1.439 . . . . 0.0 113.772 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 C-N-CA 125.481 1.515 . . . . 0.0 113.915 -179.685 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.428 0.156 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.5 m -73.5 152.16 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.603 1.161 . . . . 0.0 113.162 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -120.26 86.97 2.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.082 1.353 . . . . 0.0 109.041 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -141.32 157.27 45.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.548 1.139 . . . . 0.0 113.528 -170.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -87.04 148.18 25.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.35 1.06 . . . . 0.0 109.985 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.3 mt -142.68 141.17 31.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.89 1.676 . . . . 0.0 110.08 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.58 156.96 46.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.08 0.952 . . . . 0.0 111.162 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -141.44 48.08 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 121.953 -0.467 . . . . 0.0 112.675 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -65.66 -25.41 67.33 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.59 -0.947 . . . . 0.0 113.469 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -68.42 -29.4 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.432 1.015 . . . . 0.0 112.678 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 tp -68.4 -37.58 80.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.2 0.6 . . . . 0.0 111.315 170.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.96 -42.07 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.143 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.98 -44.14 97.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.655 1.182 . . . . 0.0 112.245 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.36 86.39 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.395 -0.816 . . . . 0.0 112.493 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.68 -38.96 89.74 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.498 0.719 . . . . 0.0 111.58 172.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.88 -44.92 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.574 1.15 . . . . 0.0 111.833 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.21 -36.61 79.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.27 1.028 . . . . 0.0 112.749 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.24 -40.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.801 0.84 . . . . 0.0 111.432 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.12 -30.57 71.09 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.286 -0.884 . . . . 0.0 112.803 172.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.36 76.88 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 120.143 1.338 . . . . 0.0 112.656 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.261 14.4 tt0 60.97 27.57 17.43 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.628 1.971 . . . . 0.0 115.314 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -63.66 -17.53 63.03 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.624 -1.298 . . . . 0.0 113.535 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.69 130.18 5.89 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.89 1.71 . . . . 0.0 113.087 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -153.85 151.62 29.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.274 1.829 . . . . 0.0 110.217 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.9 -28.31 68.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.581 -1.325 . . . . 0.0 114.153 -169.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.28 1.2 9.93 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 173.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.9 m -52.6 121.06 20.22 Favored Pre-proline 0 N--CA 1.479 1.007 0 C-N-CA 124.312 1.045 . . . . 0.0 111.239 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -67.4 -21.74 46.59 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.685 2.257 . . . . 0.0 115.522 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.79 145.18 28.83 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.843 1.657 . . . . 0.0 110.683 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 82.8 p -137.82 156.02 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.521 174.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -100.98 42.96 1.08 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.568 1.547 . . . . 0.0 112.61 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.186 1.794 . . . . 0.0 112.709 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -49.93 -54.46 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.788 1.635 . . . . 0.0 114.82 -173.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.26 -30.72 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 123.404 0.682 . . . . 0.0 111.88 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.58 -43.49 69.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.97 1.308 . . . . 0.0 111.886 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.11 -11.39 60.73 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -170.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.58 -5.06 13.42 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.907 1.283 . . . . 0.0 113.992 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -102.23 -36.65 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.834 1.254 . . . . 0.0 112.993 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -83.56 -18.13 39.39 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.598 1.159 . . . . 0.0 113.254 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -136.48 164.64 27.69 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.37 2.268 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.4 pt -59.89 152.81 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.524 0.73 . . . . 0.0 112.139 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 t -123.97 144.03 50.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.205 1.002 . . . . 0.0 113.567 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -156.55 173.35 17.05 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.138 0.975 . . . . 0.0 113.509 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.05 -37.41 66.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.874 1.67 . . . . 0.0 112.032 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -64.99 -29.57 70.5 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -80.27 -36.43 34.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.303 1.041 . . . . 0.0 111.136 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.24 -40.16 62.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.816 0.846 . . . . 0.0 112.368 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.72 -29.69 70.86 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.772 -1.205 . . . . 0.0 112.594 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -62.94 -37.3 86.51 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.534 -0.729 . . . . 0.0 111.221 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -74.2 -30.4 62.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.1 m -66.66 -35.07 79.28 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -81.74 -39.54 24.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.218 1.007 . . . . 0.0 112.816 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 C-N-CA 125.581 1.562 . . . . 0.0 114.244 178.827 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 118.976 -0.535 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.309 11.0 m 53.63 177.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.453 2.301 . . . . 0.0 114.52 -168.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -82.13 67.97 8.35 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.461 1.104 . . . . 0.0 111.983 -170.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -133.31 151.01 51.86 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.255 1.422 . . . . 0.0 112.392 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -105.27 159.73 15.65 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.773 1.629 . . . . 0.0 110.452 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -133.97 141.63 47.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.194 1.398 . . . . 0.0 110.68 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.71 159.54 42.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.759 0.823 . . . . 0.0 111.438 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.3 -138.71 39.38 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.848 0.737 . . . . 0.0 113.318 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -64.32 -20.26 65.97 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -68.67 -38.94 80.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.856 1.207 . . . . 0.0 111.52 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.51 -43.32 85.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.33 1.052 . . . . 0.0 110.746 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.408 0.683 . . . . 0.0 111.31 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.85 -43.24 84.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.189 0.904 . . . . 0.0 112.018 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.49 98.77 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.786 -0.572 . . . . 0.0 111.666 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.91 -42.23 97.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.899 0.88 . . . . 0.0 111.944 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.09 -43.89 91.86 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.434 1.094 . . . . 0.0 111.748 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.59 -34.26 71.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.303 1.041 . . . . 0.0 112.805 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.48 -39.47 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.868 0.867 . . . . 0.0 111.863 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.57 -23.9 58.83 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.25 0.62 . . . . 0.0 112.64 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.94 36.17 91.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.05 0.833 . . . . 0.0 113.664 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 60.31 21.05 10.54 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.053 1.741 . . . . 0.0 114.705 -174.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.25 -7.02 47.08 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.715 -1.241 . . . . 0.0 114.308 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.09 131.33 6.69 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.159 1.837 . . . . 0.0 113.106 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -155.77 172.91 17.53 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.679 1.992 . . . . 0.0 110.456 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -138.51 144.66 40.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.2 1.0 . . . . 0.0 111.658 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -136.15 11.34 3.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m 53.93 62.37 9.04 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 126.266 1.826 . . . . 0.0 113.841 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -61.88 143.99 96.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.943 2.429 . . . . 0.0 111.719 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -131.0 7.59 4.7 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.619 1.568 . . . . 0.0 114.518 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -75.04 158.21 33.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.334 1.454 . . . . 0.0 112.501 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.27 154.31 21.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.597 1.159 . . . . 0.0 111.269 175.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 126.432 1.893 . . . . 0.0 111.515 -179.281 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -50.37 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 126.845 2.058 . . . . 0.0 114.471 -173.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.85 -25.07 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.946 0.899 . . . . 0.0 113.094 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.96 -41.77 18.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.43 0.692 . . . . 0.0 111.406 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -55.06 -47.44 74.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.841 0.857 . . . . 0.0 113.197 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -88.37 -7.12 57.18 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.69 -37.11 13.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.842 0.857 . . . . 0.0 111.996 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -89.0 -20.48 24.36 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.04 174.24 10.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.562 1.545 . . . . 0.0 112.606 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.83 138.84 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.645 1.578 . . . . 0.0 113.018 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m -139.28 156.5 47.01 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -153.38 -175.94 5.57 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.531 1.932 . . . . 0.0 109.932 169.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -45.73 -42.6 12.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.486 1.915 . . . . 0.0 113.544 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -65.8 -23.1 66.63 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -94.57 -31.47 13.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.398 1.079 . . . . 0.0 112.402 170.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.69 -40.3 72.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.599 0.76 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.9 -26.33 62.03 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.13 -0.982 . . . . 0.0 112.967 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.83 -29.93 67.27 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.539 1.136 . . . . 0.0 112.744 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -82.07 -14.49 55.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.795 0.838 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -100.44 -19.75 16.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.174 0.99 . . . . 0.0 113.338 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.45 139.1 57.87 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.829 1.252 . . . . 0.0 112.756 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 C-N-CA 125.766 1.65 . . . . 0.0 114.596 -179.59 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.489 0.185 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.56 151.37 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.498 1.119 . . . . 0.0 112.583 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -97.48 14.05 27.76 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -86.76 142.2 28.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.697 1.199 . . . . 0.0 113.506 -169.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -117.57 152.0 36.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.332 1.853 . . . . 0.0 109.849 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.2 mt -139.34 142.87 37.61 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.361 1.464 . . . . 0.0 110.264 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.31 155.63 46.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.864 0.866 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.97 -139.16 49.0 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 123.599 0.619 . . . . 0.0 112.715 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -64.71 -26.06 68.21 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -69.93 -28.71 65.8 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.497 1.044 . . . . 0.0 112.875 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.3 tp -71.41 -36.24 71.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.621 0.768 . . . . 0.0 111.329 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.63 -46.79 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.441 0.696 . . . . 0.0 110.74 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.45 -41.7 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.179 1.392 . . . . 0.0 112.422 176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.74 89.53 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.56 -0.713 . . . . 0.0 111.949 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.98 -41.46 99.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.832 0.853 . . . . 0.0 112.337 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -60.35 -42.57 96.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.929 1.692 . . . . 0.0 111.919 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.53 -32.73 48.13 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.443 1.097 . . . . 0.0 113.302 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.29 -46.03 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 111.509 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -19.59 36.61 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.96 57.62 4.01 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.688 1.137 . . . . 0.0 112.702 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 61.76 18.42 9.66 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.556 1.542 . . . . 0.0 114.364 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.31 59.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 135.8 2.22 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.392 1.472 . . . . 0.0 111.82 -169.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.21 155.84 49.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.438 1.495 . . . . 0.0 112.221 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -104.06 59.87 0.73 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.074 1.75 . . . . 0.0 111.835 -169.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -69.61 -29.91 67.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.453 0.701 . . . . 0.0 112.499 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -61.81 134.22 93.97 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 124.635 1.174 . . . . 0.0 111.028 173.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -59.27 126.65 21.47 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.942 2.428 . . . . 0.0 113.181 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.72 161.78 38.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.731 2.012 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -144.04 155.69 44.09 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.139 1.376 . . . . 0.0 111.938 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -114.27 4.36 15.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.248 1.819 . . . . 0.0 113.164 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.559 1.543 . . . . 0.0 112.38 -179.736 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.455 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -158.27 -46.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.693 1.197 . . . . 0.0 111.607 168.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.46 -45.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.87 -44.68 96.33 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.161 0.891 . . . . 0.0 112.051 -172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -57.46 -32.54 67.05 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.153 0.981 . . . . 0.0 112.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -90.92 -8.57 48.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 114.458 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -97.8 -42.63 7.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 111.843 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -82.42 -21.97 35.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.122 0.969 . . . . 0.0 113.181 178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -143.4 179.49 7.07 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.164 1.786 . . . . 0.0 110.731 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 pt -80.66 149.09 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.885 1.274 . . . . 0.0 112.411 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.14 126.69 26.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.509 1.123 . . . . 0.0 112.136 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -70.57 161.01 31.44 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.062 0.945 . . . . 0.0 111.351 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.68 -32.95 63.69 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.667 0.787 . . . . 0.0 111.052 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -64.91 -30.06 71.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.283 1.033 . . . . 0.0 113.062 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -77.02 -36.33 56.36 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.204 1.002 . . . . 0.0 110.97 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.11 -33.11 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.988 0.515 . . . . 0.0 112.255 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.87 -30.31 70.78 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.707 -1.246 . . . . 0.0 112.862 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.6 -24.52 66.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.181 -0.95 . . . . 0.0 111.853 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -89.02 -23.34 22.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.573 1.149 . . . . 0.0 112.696 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.52 -34.16 77.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.907 0.776 . . . . 0.0 111.551 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -71.28 151.28 44.39 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.388 1.075 . . . . 0.0 111.212 171.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 CA-C-O 118.195 -1.336 . . . . 0.0 113.152 -175.339 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 p90 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.63 -13.64 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 125.088 1.355 . . . . 0.0 113.037 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 53.06 53.25 12.27 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.964 2.506 . . . . 0.0 112.393 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -108.14 146.44 32.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.531 1.532 . . . . 0.0 112.263 -174.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -125.44 143.73 50.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.247 1.819 . . . . 0.0 110.219 172.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -140.54 150.87 44.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.314 1.446 . . . . 0.0 110.851 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.8 m -127.63 155.47 43.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.355 1.062 . . . . 0.0 111.681 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.98 46.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.918 0.771 . . . . 0.0 113.763 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -63.36 -23.39 67.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -65.11 -40.09 94.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.317 0.962 . . . . 0.0 111.377 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.74 -42.34 82.0 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.377 0.671 . . . . 0.0 111.367 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.87 -39.86 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.905 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.17 -40.94 90.87 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.064 0.847 . . . . 0.0 112.661 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.28 99.73 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.132 0.878 . . . . 0.0 112.027 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.6 -44.68 89.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 110.479 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.86 -46.43 87.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.215 1.406 . . . . 0.0 112.097 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.89 -30.7 70.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.569 1.147 . . . . 0.0 112.583 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.56 -42.15 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.147 0.979 . . . . 0.0 111.655 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 40.0 m -68.26 -33.79 75.02 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 0.958 . . . . 0.0 112.659 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.42 50.59 31.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.252 0.929 . . . . 0.0 113.244 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 64.53 11.11 6.36 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -21.0 64.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 138.68 6.33 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.782 1.658 . . . . 0.0 113.445 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -162.96 174.57 12.17 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.555 1.942 . . . . 0.0 110.973 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -147.51 144.6 28.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 0.0 110.554 167.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -88.49 25.75 1.62 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.953 1.701 . . . . 0.0 114.436 -171.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -63.34 146.14 96.47 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.329 1.052 . . . . 0.0 111.179 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.74 -20.03 33.39 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.516 2.811 . . . . 0.0 115.502 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . 0.292 11.7 ptpt 46.74 -158.68 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.078 2.551 . . . . 0.0 114.473 175.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.25 69.1 p 46.09 -86.3 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 128.752 2.821 . . . . 0.0 114.791 -172.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -132.0 130.09 40.96 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.499 1.92 . . . . 0.0 109.987 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.141 1.776 . . . . 0.0 111.811 -175.447 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -52.18 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.511 1.925 . . . . 0.0 114.982 -169.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.45 -29.53 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.85 -35.47 19.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.676 -0.678 . . . . 0.0 112.799 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -66.31 -38.93 88.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.175 1.352 . . . . 0.0 113.342 -171.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 m -80.89 -19.47 44.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.278 1.031 . . . . 0.0 113.445 173.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.58 -34.65 23.14 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.392 0.677 . . . . 0.0 112.428 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -97.17 -14.7 21.29 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.812 1.645 . . . . 0.0 114.001 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -144.0 -177.05 5.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.414 1.486 . . . . 0.0 111.821 171.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 pt -67.04 139.89 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.829 0.823 . . . . 0.0 112.13 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 t -101.5 160.78 14.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.998 1.319 . . . . 0.0 111.264 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.84 161.6 38.36 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.142 -0.974 . . . . 0.0 112.269 171.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.45 -33.82 55.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.172 1.389 . . . . 0.0 111.999 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -64.8 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 112.956 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -75.08 -38.63 61.22 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.446 0.698 . . . . 0.0 110.909 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.32 -43.16 98.57 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.718 0.69 . . . . 0.0 111.347 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.98 -33.43 74.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.777 -1.202 . . . . 0.0 112.227 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.41 -29.7 70.42 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.287 -0.883 . . . . 0.0 113.034 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.33 -18.71 51.97 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.861 0.864 . . . . 0.0 113.294 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.8 t -88.91 -31.68 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.586 1.155 . . . . 0.0 112.46 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.79 144.34 56.62 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.738 1.215 . . . . 0.0 112.498 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 C-N-CA 125.199 1.381 . . . . 0.0 113.275 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER 50.92 18.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 126.914 2.086 . . . . 0.0 115.032 177.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 45.09 33.72 1.15 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.84 2.056 . . . . 0.0 114.113 -170.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -111.18 153.89 25.14 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -87.92 159.67 18.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.362 1.465 . . . . 0.0 109.982 169.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.6 mt -139.98 130.77 25.92 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.013 1.725 . . . . 0.0 109.93 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -139.51 157.59 45.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 111.613 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.2 -137.29 49.54 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.695 0.664 . . . . 0.0 113.028 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -65.1 -21.13 66.76 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -67.5 -37.41 82.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.966 1.257 . . . . 0.0 111.775 174.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.28 -39.4 78.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.289 1.036 . . . . 0.0 111.122 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.96 -41.1 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.496 0.718 . . . . 0.0 111.393 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.05 -41.31 95.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.928 0.891 . . . . 0.0 111.854 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.87 99.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.445 -0.785 . . . . 0.0 112.0 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.84 -40.82 96.65 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.657 0.783 . . . . 0.0 112.011 174.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -43.54 98.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 111.539 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.51 -31.09 68.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.803 0.841 . . . . 0.0 112.936 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -77.9 -34.92 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.141 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -5.85 13.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.988 1.267 . . . . 0.0 114.413 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.27 -66.45 0.73 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.426 2.441 . . . . 0.0 114.673 171.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -149.4 -3.26 0.42 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.429 1.892 . . . . 0.0 113.657 -169.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.93 -24.24 67.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.209 1.404 . . . . 0.0 114.751 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.73 136.24 3.43 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.806 1.193 . . . . 0.0 111.004 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -156.91 159.19 37.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.203 1.001 . . . . 0.0 112.957 -168.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -87.41 63.74 7.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.061 1.344 . . . . 0.0 112.487 -173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -70.35 -30.47 67.42 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -92.85 132.08 32.02 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.057 0.943 . . . . 0.0 108.77 169.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -54.17 144.43 58.96 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.336 2.691 . . . . 0.0 113.904 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.44 -18.15 62.34 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.976 0.91 . . . . 0.0 113.294 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 44.0 p -83.52 -22.49 32.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.868 1.667 . . . . 0.0 113.962 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 52.41 28.37 5.77 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.323 1.849 . . . . 0.0 113.419 -170.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.721 1.608 . . . . 0.0 112.237 -178.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 CA-C-O 119.38 -0.678 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.301 9.0 tp 51.1 -49.97 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 1 C-N-CA 132.085 4.154 . . . . 0.0 117.745 177.269 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -116.46 -23.38 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.887 1.675 . . . . 0.0 113.527 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.91 -43.12 96.88 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.685 -0.635 . . . . 0.0 112.489 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -62.66 -30.99 71.79 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -94.23 -10.47 32.88 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.64 -38.68 9.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.823 1.249 . . . . 0.0 112.181 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.4 -19.51 26.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.805 1.242 . . . . 0.0 113.563 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -143.82 -177.42 5.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.198 1.799 . . . . 0.0 110.833 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -87.61 147.41 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.373 1.069 . . . . 0.0 113.487 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -137.63 127.73 25.96 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.929 1.691 . . . . 0.0 113.422 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.6 p -80.86 174.69 11.37 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.234 1.414 . . . . 0.0 111.453 167.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.98 -34.96 72.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.544 -0.722 . . . . 0.0 111.008 169.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.92 -32.57 72.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.434 1.093 . . . . 0.0 112.654 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -76.41 -18.74 58.68 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.14 -36.14 21.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.555 1.142 . . . . 0.0 111.317 170.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.31 -21.69 50.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.058 1.343 . . . . 0.0 112.474 169.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.68 -30.84 45.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.553 170.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -98.16 -32.8 11.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.952 1.301 . . . . 0.0 112.845 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 m -75.75 -29.17 58.76 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -141.5 -47.91 0.39 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.79 1.636 . . . . 0.0 112.777 -167.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.161 0 C-N-CA 125.441 1.496 . . . . 0.0 113.513 -178.243 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.519 -0.277 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 t 57.56 114.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 127.838 2.455 . . . . 0.0 113.575 -170.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -79.57 69.7 5.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.446 1.098 . . . . 0.0 111.286 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -132.95 126.59 32.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.211 1.804 . . . . 0.0 109.961 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -132.35 142.75 49.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.492 1.517 . . . . 0.0 110.246 171.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -146.17 149.32 33.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.908 1.683 . . . . 0.0 110.027 -170.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.93 159.38 42.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.352 0.661 . . . . 0.0 111.613 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.18 -143.43 45.94 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.601 0.62 . . . . 0.0 113.193 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -61.22 -23.32 65.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -66.91 -38.71 86.74 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.387 0.994 . . . . 0.0 111.735 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -71.54 -39.96 70.37 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.832 0.853 . . . . 0.0 111.031 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.1 -43.86 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.586 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.86 -44.78 92.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.096 0.862 . . . . 0.0 112.74 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.71 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.047 0.84 . . . . 0.0 111.854 174.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.1 -37.03 85.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.642 0.777 . . . . 0.0 111.742 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.89 -45.12 94.02 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.461 1.104 . . . . 0.0 111.628 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.82 -33.49 74.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.927 0.891 . . . . 0.0 112.709 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.01 -42.28 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 111.194 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.54 -25.79 61.51 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.027 -1.046 . . . . 0.0 113.172 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 42.47 97.44 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 120.126 1.33 . . . . 0.0 113.904 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 62.41 15.91 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -68.95 -14.21 62.9 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.689 -1.257 . . . . 0.0 113.869 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 134.38 5.12 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.013 1.768 . . . . 0.0 113.676 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -158.02 171.78 19.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.961 1.704 . . . . 0.0 111.249 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -132.24 142.91 49.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.208 1.403 . . . . 0.0 110.421 173.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -136.71 -15.81 1.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -169.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -73.72 126.17 89.86 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-N 119.392 0.996 . . . . 0.0 112.011 -169.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.41 -22.73 12.17 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.578 2.186 . . . . 0.0 113.791 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 50.61 -101.23 0.09 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.226 2.211 . . . . 0.0 113.191 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.317 4.7 t 49.91 38.08 15.27 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.953 2.101 . . . . 0.0 115.099 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -143.02 142.38 31.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.907 1.683 . . . . 0.0 111.497 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.806 2.442 . . . . 0.0 113.146 -179.414 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -56.96 -49.14 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -168.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.99 -28.87 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -89.82 -50.9 5.78 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.004 0.521 . . . . 0.0 111.069 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.5 -31.46 70.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.25 -1.88 40.91 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.952 0.901 . . . . 0.0 113.096 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -97.75 -50.72 4.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.782 1.233 . . . . 0.0 110.65 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -84.35 -14.73 48.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 113.861 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -148.43 -171.63 3.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.973 1.709 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.0 pt -92.21 152.99 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.98 1.712 . . . . 0.0 112.173 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.7 m -137.31 139.83 41.13 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.347 1.059 . . . . 0.0 112.224 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 p -85.78 164.2 17.72 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.37 1.068 . . . . 0.0 112.395 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.51 -31.07 72.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.439 -0.788 . . . . 0.0 111.955 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -75.59 -34.97 60.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.601 1.16 . . . . 0.0 111.777 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.44 -30.52 69.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.122 0.969 . . . . 0.0 111.557 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.25 -30.96 43.4 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.49 -21.67 65.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.738 1.153 . . . . 0.0 113.497 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -56.22 -29.7 61.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.327 1.051 . . . . 0.0 112.669 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -93.74 -6.21 46.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.811 1.245 . . . . 0.0 113.598 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -76.5 1.02 17.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 0.0 113.997 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.04 144.75 55.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.733 1.213 . . . . 0.0 112.247 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 C-N-CA 125.396 1.474 . . . . 0.0 113.943 -179.432 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.1 133.64 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.366 1.066 . . . . 0.0 112.178 -175.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -78.8 63.84 3.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.579 1.152 . . . . 0.0 111.388 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -113.72 129.99 56.49 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.336 1.454 . . . . 0.0 112.92 -171.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.08 155.05 18.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.105 1.362 . . . . 0.0 109.827 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.84 -89.17 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.445 1.098 . . . . 0.0 111.591 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 61.92 174.01 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.177 2.591 . . . . 0.0 113.935 -171.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.83 -137.43 46.27 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.153 -0.967 . . . . 0.0 113.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -76.63 -19.17 58.09 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -60.99 -35.94 78.15 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.93 1.241 . . . . 0.0 111.313 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.04 -38.02 89.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.771 1.628 . . . . 0.0 112.392 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.61 -41.34 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.243 1.017 . . . . 0.0 110.986 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.98 -42.53 84.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.444 1.098 . . . . 0.0 112.651 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.56 96.84 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.731 -0.606 . . . . 0.0 111.711 174.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -46.1 91.35 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.106 0.962 . . . . 0.0 110.683 174.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -48.24 78.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.721 1.208 . . . . 0.0 111.557 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.55 -33.15 72.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.391 1.076 . . . . 0.0 112.991 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 t -67.77 -43.23 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.192 0.997 . . . . 0.0 111.346 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.0 m -69.03 -44.3 72.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.782 0.719 . . . . 0.0 112.577 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.04 50.23 5.96 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.461 1.029 . . . . 0.0 112.922 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 59.4 32.45 21.82 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.536 1.534 . . . . 0.0 113.701 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.64 -16.55 59.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 0.0 114.764 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 117.11 0.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.455 1.503 . . . . 0.0 109.957 -167.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -151.93 175.75 12.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.286 1.035 . . . . 0.0 112.73 -169.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -127.99 143.34 51.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.875 1.27 . . . . 0.0 111.252 171.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -110.08 -1.01 17.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.696 1.199 . . . . 0.0 113.459 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -70.13 142.53 90.23 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.787 1.635 . . . . 0.0 110.757 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -62.43 146.2 95.62 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.289 1.993 . . . . 0.0 111.852 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -52.0 61.41 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.29 1.436 . . . . 0.0 112.623 -174.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.8 m 60.58 160.93 0.05 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.965 1.706 . . . . 0.0 113.839 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -77.81 62.12 2.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 C-N-CA 127.215 2.206 . . . . 0.0 110.679 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -70.0 -21.01 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.23 -28.72 17.63 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.995 0.816 . . . . 0.0 112.759 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.58 -35.42 80.93 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -169.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.22 -12.64 17.86 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.8 t -83.27 -41.76 17.95 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.392 -0.817 . . . . 0.0 111.42 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -94.13 -19.06 21.15 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.146 1.379 . . . . 0.0 113.955 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -142.67 -174.75 4.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.407 1.883 . . . . 0.0 110.859 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 pt -88.76 151.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.259 1.023 . . . . 0.0 112.847 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 p -141.66 152.24 43.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -122.74 174.36 7.16 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.742 2.017 . . . . 0.0 110.971 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.39 -36.74 66.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.089 -1.007 . . . . 0.0 111.769 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -64.59 -25.5 67.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.53 1.132 . . . . 0.0 113.371 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -85.14 -33.69 22.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.53 1.132 . . . . 0.0 111.568 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.82 -36.64 84.56 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.477 1.035 . . . . 0.0 111.888 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.16 -11.98 17.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 174.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -67.95 -24.64 65.19 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.128 -0.982 . . . . 0.0 112.566 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.72 -6.42 23.73 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.805 1.242 . . . . 0.0 113.453 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.546 0.821 0 C-N-CA 125.274 1.43 . . . . 0.0 111.738 168.107 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 113.331 0.864 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -111.82 146.22 38.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.805 1.642 . . . . 0.0 109.652 168.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -141.22 138.19 33.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.064 1.746 . . . . 0.0 109.649 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.86 156.08 46.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.926 0.89 . . . . 0.0 110.889 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.34 -136.38 50.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.47 0.557 . . . . 0.0 113.497 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.7 p -63.4 -23.83 67.58 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -67.29 -37.74 83.88 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.35 0.977 . . . . 0.0 111.528 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.8 -38.85 70.2 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.355 1.062 . . . . 0.0 111.484 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.59 -43.09 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-O 118.902 -0.57 . . . . 0.0 110.998 171.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.29 -39.92 93.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.775 1.17 . . . . 0.0 112.522 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.0 89.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.196 -0.94 . . . . 0.0 111.881 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.94 -35.41 80.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.489 0.716 . . . . 0.0 112.291 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.85 -38.78 92.16 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.856 -1.153 . . . . 0.0 111.225 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.88 -35.78 59.75 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.882 -1.136 . . . . 0.0 113.112 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.89 -30.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.071 0.948 . . . . 0.0 111.927 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -135.42 -12.11 2.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 -169.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.08 -18.49 54.91 Favored Glycine 0 N--CA 1.479 1.515 0 CA-C-N 120.75 1.614 . . . . 0.0 115.495 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -88.96 -9.69 50.5 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.015 1.326 . . . . 0.0 113.33 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -112.55 -19.78 11.98 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.494 2.318 . . . . 0.0 113.02 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.74 156.22 32.36 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.779 2.133 . . . . 0.0 111.628 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 N--CA 1.469 0.518 0 C-N-CA 124.483 1.113 . . . . 0.0 112.957 179.255 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -102.19 -40.03 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.164 0.986 . . . . 0.0 112.617 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.61 -28.17 45.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.55 -20.34 66.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.206 0.912 . . . . 0.0 112.978 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -102.72 -24.57 13.73 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.83 1.252 . . . . 0.0 114.24 170.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.02 -30.67 16.66 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.645 0.778 . . . . 0.0 113.095 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -105.09 -18.14 14.25 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.178 1.391 . . . . 0.0 113.541 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.03 162.12 35.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.969 2.108 . . . . 0.0 110.613 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -71.47 146.29 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.716 -0.615 . . . . 0.0 111.93 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -141.8 157.23 45.27 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.7 p -105.79 165.46 11.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.43 -33.1 72.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.791 0.837 . . . . 0.0 110.843 169.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -66.45 -34.27 77.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.711 0.804 . . . . 0.0 112.494 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -73.56 -36.05 65.57 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.418 -0.801 . . . . 0.0 112.048 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.27 -37.49 87.66 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.443 -0.786 . . . . 0.0 111.74 171.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.44 -29.14 68.53 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.847 -1.158 . . . . 0.0 113.098 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.31 -33.05 72.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.127 -0.983 . . . . 0.0 111.901 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.64 -36.17 70.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.222 0.609 . . . . 0.0 112.114 170.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 124.71 1.204 . . . . 0.0 112.783 177.242 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -109.78 132.1 54.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.806 1.643 . . . . 0.0 109.497 167.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.59 133.56 24.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.254 1.422 . . . . 0.0 110.694 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.28 160.51 40.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.269 1.027 . . . . 0.0 110.985 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -137.92 45.36 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.404 0.526 . . . . 0.0 113.134 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -64.87 -23.06 67.12 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -65.24 -40.25 93.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.635 1.107 . . . . 0.0 111.351 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.87 -43.84 78.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.922 0.889 . . . . 0.0 110.926 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.52 -44.72 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.451 0.569 . . . . 0.0 111.007 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.69 -41.72 92.06 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.097 0.862 . . . . 0.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.17 97.01 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.45 -0.781 . . . . 0.0 111.55 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.59 -41.52 94.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.424 1.09 . . . . 0.0 110.855 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.45 -49.4 77.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.424 1.09 . . . . 0.0 111.959 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.64 -32.8 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.681 0.792 . . . . 0.0 112.758 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.05 -38.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.931 0.892 . . . . 0.0 112.053 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -75.08 -31.31 61.18 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.234 1.013 . . . . 0.0 112.39 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.22 36.89 93.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.479 0.562 . . . . 0.0 113.189 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 62.35 25.05 14.95 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.011 1.724 . . . . 0.0 115.586 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -64.42 -16.55 62.58 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.453 1.101 . . . . 0.0 113.188 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.96 121.54 3.61 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 126.495 1.998 . . . . 0.0 112.69 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 112.142 -173.768 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -80.73 -19.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.16 -33.6 19.34 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.499 -0.751 . . . . 0.0 112.44 -172.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.25 -22.14 64.78 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -172.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.2 m -100.35 -20.8 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.357 1.463 . . . . 0.0 113.737 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.4 t -93.16 -37.7 11.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.919 0.888 . . . . 0.0 113.34 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -86.43 -23.15 26.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.343 1.057 . . . . 0.0 113.358 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -152.07 176.2 11.77 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.596 1.958 . . . . 0.0 109.483 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -75.15 147.12 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.366 -0.834 . . . . 0.0 112.266 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -133.78 168.14 19.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.907 1.283 . . . . 0.0 112.536 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -110.89 163.93 13.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.083 1.353 . . . . 0.0 114.32 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.61 -27.02 57.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.448 0.699 . . . . 0.0 112.547 169.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.73 -30.45 68.07 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.237 -0.914 . . . . 0.0 112.357 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -74.83 -34.9 62.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.245 1.018 . . . . 0.0 111.427 171.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.33 -38.25 81.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.4 -24.16 67.54 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.467 -1.395 . . . . 0.0 113.147 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.92 -35.63 69.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.197 -0.939 . . . . 0.0 112.211 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.33 -21.69 61.29 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.354 -0.841 . . . . 0.0 112.763 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.549 0.905 0 C-N-CA 126.239 1.816 . . . . 0.0 113.553 172.795 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -92.06 114.98 27.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.733 1.613 . . . . 0.0 109.072 167.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.57 135.81 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.189 1.396 . . . . 0.0 110.013 173.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.04 157.96 44.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.943 0.897 . . . . 0.0 111.123 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 -136.42 49.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.88 0.752 . . . . 0.0 113.325 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.9 p -63.48 -23.0 67.21 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -70.41 -34.02 72.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.6 1.091 . . . . 0.0 111.671 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.94 -39.8 69.16 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.15 0.98 . . . . 0.0 111.48 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.91 -45.04 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.65 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.56 -47.41 81.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.909 0.884 . . . . 0.0 112.577 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.16 89.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.026 0.83 . . . . 0.0 111.945 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.01 -39.71 93.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.023 0.929 . . . . 0.0 112.547 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.15 -43.99 98.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.292 1.037 . . . . 0.0 110.842 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.26 -38.15 68.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.466 1.106 . . . . 0.0 113.022 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.97 -38.26 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 118.829 0.741 . . . . 0.0 111.764 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.59 -23.58 45.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.308 1.043 . . . . 0.0 113.155 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.42 32.71 85.09 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.114 0.864 . . . . 0.0 113.186 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 58.42 23.9 11.15 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.062 1.745 . . . . 0.0 114.876 -172.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -27.23 68.28 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.483 -1.386 . . . . 0.0 112.943 173.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.46 121.68 2.6 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 126.711 2.1 . . . . 0.0 111.982 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.467 0.407 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -178.155 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.3 -15.23 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.19 -33.84 13.14 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.517 1.127 . . . . 0.0 112.337 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.06 -38.79 80.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.146 0.885 . . . . 0.0 112.56 -171.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.25 -13.71 21.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.709 1.204 . . . . 0.0 113.815 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.35 -34.42 17.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.14 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.1 p -92.36 -17.76 24.23 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.215 1.406 . . . . 0.0 114.185 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -148.62 174.11 12.48 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.409 1.483 . . . . 0.0 111.273 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 pt -78.36 145.37 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.005 0.922 . . . . 0.0 112.674 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.05 152.97 48.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.574 1.55 . . . . 0.0 112.796 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 p -112.36 176.13 5.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.233 2.213 . . . . 0.0 111.354 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 mt -54.68 -36.5 64.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.521 0.728 . . . . 0.0 111.486 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.06 -33.11 61.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.064 1.345 . . . . 0.0 112.29 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -69.94 -27.67 64.94 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.619 -0.676 . . . . 0.0 112.159 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.57 -37.7 49.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.569 0.748 . . . . 0.0 112.339 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.15 -26.63 51.13 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.844 -1.16 . . . . 0.0 113.219 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -53.15 -30.57 37.71 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.77 1.628 . . . . 0.0 113.371 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -96.64 -0.72 48.08 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 113.142 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.517 1.527 . . . . 0.0 111.473 169.697 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -76.42 139.76 41.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.648 1.179 . . . . 0.0 111.73 171.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -144.14 135.55 25.73 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.722 2.009 . . . . 0.0 110.142 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -142.36 159.42 42.27 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.997 0.919 . . . . 0.0 111.218 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.43 -139.23 44.91 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.606 0.622 . . . . 0.0 113.173 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -66.62 -19.14 65.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -66.99 -37.86 84.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.912 1.233 . . . . 0.0 111.668 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -67.39 -40.37 85.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.367 1.067 . . . . 0.0 111.057 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.68 -42.96 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.525 0.73 . . . . 0.0 111.44 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.05 -43.48 87.35 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.928 0.785 . . . . 0.0 112.244 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.83 98.71 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.596 -0.69 . . . . 0.0 111.52 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.1 -39.24 91.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.458 0.703 . . . . 0.0 111.799 172.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -62.44 -42.9 99.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.356 0.98 . . . . 0.0 111.659 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.46 -35.75 75.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.196 0.999 . . . . 0.0 112.732 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.8 -44.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.223 1.009 . . . . 0.0 111.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -78.04 -26.59 48.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.782 0.833 . . . . 0.0 112.985 -175.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.55 64.93 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.046 1.308 . . . . 0.0 115.273 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.86 20.58 9.49 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.072 1.749 . . . . 0.0 115.528 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -21.28 64.14 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.684 -1.26 . . . . 0.0 112.859 169.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.3 127.46 3.76 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.5 2.0 . . . . 0.0 112.094 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.165 1.386 . . . . 0.0 112.506 -176.01 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -77.93 -9.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -93.63 -37.78 11.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.146 1.379 . . . . 0.0 111.079 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -70.06 -26.71 64.14 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 m -93.22 -15.04 26.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 170.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.4 t -92.41 -33.51 14.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.968 0.907 . . . . 0.0 112.805 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -98.58 -18.77 17.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.535 1.534 . . . . 0.0 113.753 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 m -138.04 158.08 45.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.175 2.19 . . . . 0.0 109.539 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 pt -60.81 140.09 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.652 -0.655 . . . . 0.0 112.561 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.92 164.73 17.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.606 1.162 . . . . 0.0 112.528 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 t -152.68 144.77 23.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.387 1.075 . . . . 0.0 111.109 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -53.59 -32.45 51.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.631 1.173 . . . . 0.0 111.714 171.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -74.21 -33.64 63.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.65 0.78 . . . . 0.0 112.398 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -77.68 -32.53 53.18 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.822 -0.549 . . . . 0.0 111.756 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.35 -43.23 98.3 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.336 -0.853 . . . . 0.0 110.876 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.15 -33.29 74.22 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.451 -1.405 . . . . 0.0 112.787 170.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.24 -38.6 91.81 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.387 -0.82 . . . . 0.0 111.027 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -70.38 -32.42 70.07 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.326 -0.858 . . . . 0.0 112.487 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 118.882 0.765 . . . . 0.0 112.154 172.415 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -81.5 153.23 26.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.201 1.4 . . . . 0.0 111.873 169.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -138.67 136.76 36.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.028 1.731 . . . . 0.0 109.482 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -145.37 159.68 42.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.723 0.809 . . . . 0.0 111.426 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.55 -141.03 42.48 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.754 0.692 . . . . 0.0 113.17 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.6 p -64.19 -22.6 67.0 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -64.92 -40.85 95.7 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.57 1.077 . . . . 0.0 111.303 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.26 -40.8 74.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.783 0.833 . . . . 0.0 111.517 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.11 -43.7 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.108 0.563 . . . . 0.0 110.717 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.92 -42.9 89.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.237 0.926 . . . . 0.0 112.164 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.37 97.97 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.444 -0.785 . . . . 0.0 111.7 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.23 -40.78 98.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.765 0.826 . . . . 0.0 111.735 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.26 -42.82 92.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.034 0.934 . . . . 0.0 111.82 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.88 -34.07 68.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.506 1.122 . . . . 0.0 113.049 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.33 -39.65 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.709 0.803 . . . . 0.0 112.218 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -74.8 -36.04 62.47 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.224 0.92 . . . . 0.0 111.679 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.27 55.63 5.57 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.21 0.909 . . . . 0.0 113.282 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.35 37.33 25.9 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.941 1.296 . . . . 0.0 113.473 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.56 -12.41 60.21 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -170.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.07 32.87 30.85 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.878 0.751 . . . . 0.0 113.072 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.9 p90 . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 126.268 1.827 . . . . 0.0 112.425 177.318 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -73.23 -29.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -74.6 -27.78 60.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.026 0.931 . . . . 0.0 112.25 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -52.34 -32.15 36.84 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.774 1.63 . . . . 0.0 113.273 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 -17.58 8.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -87.78 -18.8 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.552 1.069 . . . . 0.0 113.335 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -132.49 -41.18 0.97 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.458 1.103 . . . . 0.0 111.504 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.5 m -83.71 176.44 8.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.278 1.031 . . . . 0.0 110.202 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 pt -102.76 139.5 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.476 1.11 . . . . 0.0 111.358 170.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.69 151.96 32.76 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -171.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 p -110.72 162.4 14.8 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.381 1.472 . . . . 0.0 113.217 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.27 -34.79 74.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.518 0.727 . . . . 0.0 110.823 170.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.97 -33.85 76.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.006 0.922 . . . . 0.0 112.416 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -73.64 -38.1 65.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.177 0.991 . . . . 0.0 111.762 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.03 -32.58 74.14 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.203 -0.935 . . . . 0.0 112.434 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.89 -30.54 71.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.687 0.795 . . . . 0.0 112.862 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -66.23 -26.93 67.6 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.284 0.947 . . . . 0.0 112.464 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.15 -8.34 53.89 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.343 1.057 . . . . 0.0 113.825 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 CA--C 1.542 0.656 0 O-C-N 120.987 -1.071 . . . . 0.0 112.33 -179.674 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -119.01 153.07 35.27 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.916 1.286 . . . . 0.0 112.378 169.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.3 mt -156.8 150.28 24.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.891 2.476 . . . . 0.0 109.457 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -147.39 159.55 43.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.302 -0.873 . . . . 0.0 111.983 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.08 -136.07 50.92 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.927 0.775 . . . . 0.0 113.43 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -62.26 -22.79 66.27 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -70.17 -36.41 74.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.816 1.189 . . . . 0.0 111.694 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -73.01 -37.84 66.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.095 0.958 . . . . 0.0 111.169 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.11 -42.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.757 -0.589 . . . . 0.0 111.347 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.52 -37.9 89.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.587 1.085 . . . . 0.0 112.31 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.08 94.38 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.384 -0.822 . . . . 0.0 111.857 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.07 -44.64 83.27 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.708 1.203 . . . . 0.0 110.539 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.04 -46.42 90.79 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.63 1.572 . . . . 0.0 112.096 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.6 -34.15 64.93 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.599 1.16 . . . . 0.0 112.665 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -74.16 -38.83 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.042 0.937 . . . . 0.0 111.643 175.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -70.79 -29.82 66.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.799 0.84 . . . . 0.0 111.964 173.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.29 45.62 8.69 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 124.746 1.165 . . . . 0.0 113.864 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 58.93 27.19 15.91 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.153 1.381 . . . . 0.0 113.954 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -19.95 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.778 -1.202 . . . . 0.0 113.959 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 126.21 1.41 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.243 1.401 . . . . 0.0 111.094 -171.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 124.457 1.103 . . . . 0.0 112.301 -169.785 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.31 -21.83 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.285 1.434 . . . . 0.0 113.806 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.0 -50.46 5.09 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.649 1.179 . . . . 0.0 110.312 170.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 -31.45 72.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.628 0.974 . . . . 0.0 113.628 -169.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.6 m -95.81 -9.67 30.98 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -107.06 -40.43 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.834 0.854 . . . . 0.0 112.616 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -80.46 -17.55 51.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.23 1.012 . . . . 0.0 113.554 172.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -146.43 -179.69 6.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.087 1.755 . . . . 0.0 111.367 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.37 153.32 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.018 0.927 . . . . 0.0 113.467 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 m -135.55 156.57 48.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.752 1.621 . . . . 0.0 112.123 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -149.87 170.38 18.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.618 1.967 . . . . 0.0 109.931 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.84 -40.23 55.44 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.56 1.544 . . . . 0.0 112.439 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -65.32 -28.25 69.17 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -91.24 -29.66 17.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.309 1.044 . . . . 0.0 112.205 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.83 -37.39 87.45 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.201 -0.937 . . . . 0.0 111.089 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -25.71 67.08 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.649 -1.282 . . . . 0.0 112.976 170.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -67.01 -35.7 80.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.095 0.958 . . . . 0.0 112.268 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -78.02 -30.42 49.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.569 -0.707 . . . . 0.0 112.044 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.2 t . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 125.125 1.37 . . . . 0.0 113.488 -179.629 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -82.49 145.25 29.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.469 0.707 . . . . 0.0 110.321 169.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -140.83 153.84 45.95 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.206 2.202 . . . . 0.0 109.392 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 172.22 15.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.067 -1.021 . . . . 0.0 111.07 173.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.23 -136.85 49.4 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 121.791 -0.568 . . . . 0.0 112.663 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -74.68 -21.45 59.4 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -64.52 -33.27 75.51 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.454 1.479 . . . . 0.0 112.057 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.98 -32.93 74.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.019 1.728 . . . . 0.0 112.313 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.56 -36.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.258 1.023 . . . . 0.0 111.081 170.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.33 -37.12 84.62 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.547 1.139 . . . . 0.0 112.734 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.18 93.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.262 -0.899 . . . . 0.0 111.987 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -38.77 92.26 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.944 0.898 . . . . 0.0 110.793 170.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.42 -33.01 74.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.443 1.097 . . . . 0.0 112.938 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.04 -25.74 43.19 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.733 -1.229 . . . . 0.0 113.015 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.6 t -81.01 -35.58 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.37 1.068 . . . . 0.0 112.526 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 m -145.04 -3.49 0.76 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -171.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.33 -15.33 58.84 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.474 -1.391 . . . . 0.0 114.998 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.71 -24.8 44.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.973 0.887 . . . . 0.0 112.299 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -85.77 -37.75 18.97 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.433 1.493 . . . . 0.0 111.533 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.05 145.04 16.99 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.793 1.663 . . . . 0.0 112.351 -170.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.481 1.512 . . . . 0.0 111.611 -174.863 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 m -65.95 -14.58 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -104.0 -36.01 7.9 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 111.958 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.88 -34.0 72.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.669 1.187 . . . . 0.0 113.637 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.5 t -96.76 -12.93 23.04 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.065 1.346 . . . . 0.0 113.221 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -92.79 -41.69 9.97 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 0.0 113.334 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.73 -17.91 24.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.88 1.272 . . . . 0.0 113.911 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -138.09 165.68 26.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.497 1.919 . . . . 0.0 111.096 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.5 pt -66.01 149.95 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.05 154.94 43.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.887 1.275 . . . . 0.0 113.649 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -135.16 171.09 14.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.978 2.111 . . . . 0.0 111.821 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.56 -34.22 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.665 -0.647 . . . . 0.0 112.71 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -71.35 -32.06 68.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.602 0.761 . . . . 0.0 112.181 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -74.25 -37.25 63.84 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.552 0.741 . . . . 0.0 111.715 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.37 -43.69 76.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.98 0.912 . . . . 0.0 112.313 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.26 -21.7 49.55 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.941 -1.099 . . . . 0.0 113.958 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -65.13 -24.45 67.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.252 1.021 . . . . 0.0 112.982 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.95 -13.38 41.96 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 125.321 1.449 . . . . 0.0 114.574 -176.868 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -115.61 153.72 30.75 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.353 1.861 . . . . 0.0 109.732 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.8 mt -139.6 144.09 37.59 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.885 1.274 . . . . 0.0 110.592 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -143.12 162.71 34.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.884 0.874 . . . . 0.0 111.254 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -139.31 48.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 123.514 0.578 . . . . 0.0 112.785 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.7 p -67.83 -20.72 65.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.68 -36.95 83.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.782 1.174 . . . . 0.0 111.7 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.16 -45.26 92.69 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.752 1.221 . . . . 0.0 110.938 173.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.09 -41.81 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.035 0.934 . . . . 0.0 111.165 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -66.26 -42.09 88.98 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.045 0.938 . . . . 0.0 111.615 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.67 99.7 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.171 0.442 . . . . 0.0 111.75 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.41 -41.4 93.83 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.849 0.75 . . . . 0.0 111.915 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -48.74 80.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.896 1.279 . . . . 0.0 111.706 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.66 -32.65 60.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.179 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.61 -43.83 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.301 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -87.9 -25.04 23.44 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.19 45.16 20.63 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.057 0.837 . . . . 0.0 113.446 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 56.59 47.28 18.82 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.395 1.478 . . . . 0.0 113.052 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -106.02 17.08 24.13 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 126.585 1.954 . . . . 0.0 114.069 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.65 132.34 1.73 Allowed Glycine 0 N--CA 1.469 0.863 0 C-N-CA 126.276 1.893 . . . . 0.0 112.999 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 125.543 1.537 . . . . 0.0 111.317 176.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -61.95 -24.06 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -94.98 -47.95 6.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.01 0.924 . . . . 0.0 110.819 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.18 -33.77 76.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.42 -10.7 26.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -102.82 -32.18 9.93 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.927 0.785 . . . . 0.0 112.665 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -90.44 -14.6 32.53 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -144.13 166.93 23.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 111.034 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 pt -64.06 144.67 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.097 0.559 . . . . 0.0 112.386 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.54 153.57 39.06 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.961 1.304 . . . . 0.0 112.823 169.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -147.39 167.54 24.11 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.982 2.513 . . . . 0.0 108.674 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.74 -35.32 55.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -67.05 -22.88 65.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -84.71 -37.27 21.13 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.348 1.059 . . . . 0.0 111.892 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.67 -42.34 99.57 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.702 1.137 . . . . 0.0 111.498 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -16.81 60.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.745 1.218 . . . . 0.0 113.863 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -68.78 -24.15 64.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.385 -0.822 . . . . 0.0 112.681 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.77 -30.36 16.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.099 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -82.21 143.85 31.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 168.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.33 151.58 51.79 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.073 1.749 . . . . 0.0 109.463 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 169.59 18.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 110.334 171.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.88 -133.29 52.76 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 121.598 -0.688 . . . . 0.0 113.098 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -73.79 -24.36 59.82 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -67.89 -32.4 72.86 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.72 1.6 . . . . 0.0 112.552 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.26 -34.76 78.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.42 1.088 . . . . 0.0 111.664 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.62 -39.28 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.88 1.272 . . . . 0.0 110.986 170.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -62.23 -37.38 85.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.397 1.479 . . . . 0.0 112.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.88 90.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.111 0.869 . . . . 0.0 111.843 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.77 -33.79 75.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.18 0.992 . . . . 0.0 111.74 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.29 -42.93 82.93 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.337 1.055 . . . . 0.0 111.887 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.97 -28.59 57.94 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.837 -1.164 . . . . 0.0 112.879 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.81 -31.15 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.573 1.149 . . . . 0.0 112.213 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.3 m -144.57 2.74 1.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -169.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.93 -19.52 37.52 Favored Glycine 0 N--CA 1.48 1.6 0 CA-C-N 120.07 1.305 . . . . 0.0 116.115 -174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -103.86 -8.54 19.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.396 1.479 . . . . 0.0 113.707 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -105.58 -11.63 16.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.25 2.62 . . . . 0.0 113.298 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.54 121.44 4.9 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.356 1.931 . . . . 0.0 113.044 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 177.168 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.53 -28.51 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.82 -29.65 64.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -166.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -61.21 -36.99 81.41 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.782 1.174 . . . . 0.0 111.832 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.06 -20.67 18.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.631 1.173 . . . . 0.0 113.129 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -86.0 -28.32 24.27 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.345 -0.847 . . . . 0.0 112.518 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -106.13 -11.24 16.16 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -146.39 179.53 7.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.688 1.595 . . . . 0.0 111.401 173.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 pt -74.07 -24.45 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p 47.96 -167.21 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.549 2.74 . . . . 0.0 115.219 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -151.03 164.26 36.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.052 0.941 . . . . 0.0 112.377 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.61 -29.94 62.69 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.648 0.779 . . . . 0.0 112.822 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -64.89 -25.29 67.82 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.488 0.715 . . . . 0.0 112.893 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -84.08 -31.28 25.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.37 1.068 . . . . 0.0 112.019 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.44 -39.65 85.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.987 0.515 . . . . 0.0 111.007 169.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.48 -20.95 66.51 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.853 -1.154 . . . . 0.0 113.263 173.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -73.99 -28.94 61.7 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.05 0.841 . . . . 0.0 112.756 171.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.89 -26.14 43.88 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.862 0.865 . . . . 0.0 112.766 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.9 t . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.385 1.474 . . . . 0.0 112.316 175.466 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.75 139.64 57.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.727 0.811 . . . . 0.0 112.584 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.09 134.95 30.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.69 1.996 . . . . 0.0 110.079 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -141.73 151.97 43.41 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.327 1.051 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.91 -135.54 48.98 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 123.413 0.53 . . . . 0.0 113.51 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -59.32 -26.45 65.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -68.39 -36.25 78.87 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.125 -0.984 . . . . 0.0 111.647 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 tp -73.41 -37.35 65.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.365 0.666 . . . . 0.0 111.49 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.92 -39.91 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.065 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -42.81 99.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.775 1.171 . . . . 0.0 112.32 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.06 81.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.628 -0.67 . . . . 0.0 112.196 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.85 -40.56 80.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.55 1.14 . . . . 0.0 111.95 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.28 -43.03 99.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.476 1.11 . . . . 0.0 111.558 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.7 mt -74.62 -36.48 62.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.712 1.205 . . . . 0.0 112.812 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.33 -39.82 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.974 0.806 . . . . 0.0 111.717 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 t -78.56 -29.78 46.5 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.0 113.234 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.69 44.48 81.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.775 0.702 . . . . 0.0 113.496 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.78 16.82 9.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -74.25 -7.69 53.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.448 1.499 . . . . 0.0 114.24 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.84 145.4 8.27 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.486 1.517 . . . . 0.0 113.089 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.44 1.096 . . . . 0.0 113.406 -171.371 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 -1.06 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -170.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.46 -28.08 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.098 -1.001 . . . . 0.0 112.29 169.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -61.8 -32.35 72.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.596 1.158 . . . . 0.0 112.633 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.01 -20.0 15.58 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -98.07 -49.93 4.57 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -96.57 -29.52 13.81 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.708 0.686 . . . . 0.0 112.34 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -99.92 170.24 8.65 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.058 1.343 . . . . 0.0 111.047 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.87 139.59 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 110.05 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.1 177.38 7.91 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -142.47 170.36 15.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.219 1.408 . . . . 0.0 112.222 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.93 -39.81 66.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.471 1.508 . . . . 0.0 111.52 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -67.1 -20.39 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.927 1.291 . . . . 0.0 113.657 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -88.29 -36.57 16.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.367 1.067 . . . . 0.0 111.245 170.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.3 -31.08 71.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.449 0.699 . . . . 0.0 112.514 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.62 -24.68 64.02 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -69.76 -18.25 63.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.112 0.965 . . . . 0.0 112.803 -178.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.1 -6.48 24.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.714 1.206 . . . . 0.0 113.419 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.43 1.092 . . . . 0.0 112.596 169.852 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -102.74 136.36 42.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.034 1.334 . . . . 0.0 109.857 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -150.53 131.75 14.5 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.82 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.9 m -136.89 165.64 25.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.712 1.205 . . . . 0.0 112.075 -169.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.58 -140.43 45.66 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.108 0.861 . . . . 0.0 114.376 169.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -66.5 -24.08 66.35 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -64.39 -38.83 92.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.86 0.755 . . . . 0.0 111.192 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.48 -41.7 88.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.328 1.051 . . . . 0.0 111.817 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -61.79 -44.94 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.262 0.625 . . . . 0.0 110.882 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.71 -42.35 99.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.814 0.846 . . . . 0.0 112.31 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.89 95.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.18 -0.95 . . . . 0.0 112.163 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.3 98.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.681 0.792 . . . . 0.0 111.073 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.04 -48.09 79.37 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.727 1.611 . . . . 0.0 111.517 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.13 -31.97 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.043 0.937 . . . . 0.0 113.019 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.74 -42.76 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.393 174.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 60.4 m -75.1 -33.29 61.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.46 53.96 11.73 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.685 0.675 . . . . 0.0 113.709 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 58.89 41.69 20.88 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.35 1.46 . . . . 0.0 114.005 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -108.35 -3.45 18.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.404 1.882 . . . . 0.0 114.387 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 149.3 9.61 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.275 1.417 . . . . 0.0 112.509 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 124.856 1.262 . . . . 0.0 112.651 -176.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -83.26 -33.62 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.021 0.928 . . . . 0.0 111.85 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.83 -32.85 73.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.306 1.442 . . . . 0.0 112.806 -175.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -58.27 -23.21 55.44 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.782 1.233 . . . . 0.0 113.571 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -18.86 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 172.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.5 t -82.73 -20.39 36.08 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.253 0.933 . . . . 0.0 113.334 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -133.5 -40.18 0.89 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.197 0.999 . . . . 0.0 111.489 169.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -82.93 178.11 8.32 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.21 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 pt -102.63 148.5 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.763 1.225 . . . . 0.0 111.629 174.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -134.6 160.81 36.92 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -133.3 170.75 14.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.933 2.093 . . . . 0.0 110.328 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -52.54 -33.16 44.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -68.11 -22.64 64.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.872 0.869 . . . . 0.0 112.849 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -79.71 -42.89 23.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.95 0.9 . . . . 0.0 111.011 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.02 -40.75 96.76 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.959 0.8 . . . . 0.0 111.965 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.37 -13.8 15.16 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -73.47 -21.67 60.38 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.056 -1.028 . . . . 0.0 113.115 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.39 -3.37 33.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -171.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -175.294 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -124.78 156.12 38.26 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.327 1.451 . . . . 0.0 112.336 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -154.12 146.11 23.59 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.434 2.294 . . . . 0.0 109.895 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.82 160.23 42.98 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.633 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -132.31 46.02 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.022 0.82 . . . . 0.0 113.469 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -63.32 -23.21 67.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -70.93 -37.85 72.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.659 1.118 . . . . 0.0 111.59 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.4 -38.92 71.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.247 1.019 . . . . 0.0 111.418 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.41 -45.57 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.798 0.839 . . . . 0.0 111.295 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.64 -40.92 98.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.35 0.977 . . . . 0.0 112.016 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.0 96.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.672 -0.643 . . . . 0.0 111.874 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.73 -41.5 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.845 0.858 . . . . 0.0 112.296 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.73 -47.43 86.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.481 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.98 -31.9 30.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.426 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -65.26 -46.4 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.015 0.825 . . . . 0.0 110.644 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.89 -24.35 28.53 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.51 53.38 4.38 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.702 1.144 . . . . 0.0 112.764 173.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 59.58 31.96 21.29 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.279 1.432 . . . . 0.0 113.87 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -71.46 -20.05 62.14 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.951 1.3 . . . . 0.0 114.462 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.84 135.12 7.87 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.881 1.705 . . . . 0.0 110.362 -167.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 p90 . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 123.927 0.891 . . . . 0.0 113.015 -172.935 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.06 -28.61 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 120.976 -1.077 . . . . 0.0 112.14 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.51 -34.3 63.01 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.55 -0.719 . . . . 0.0 111.601 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.92 -44.13 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.04 0.836 . . . . 0.0 113.11 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -82.01 -20.84 37.6 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -76.0 -37.6 58.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.718 0.807 . . . . 0.0 111.69 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -101.03 -14.27 17.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.484 1.514 . . . . 0.0 114.307 -174.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.61 177.39 8.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.783 1.633 . . . . 0.0 111.939 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.78 145.37 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.219 1.007 . . . . 0.0 112.755 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -142.92 167.45 22.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 113.564 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -136.81 177.94 7.46 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.521 1.928 . . . . 0.0 112.026 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.76 -29.6 28.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 170.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -73.89 -29.91 62.33 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.357 -0.84 . . . . 0.0 112.422 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -81.05 -26.1 36.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.553 0.741 . . . . 0.0 112.585 169.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.99 -38.28 75.97 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.963 -1.085 . . . . 0.0 111.169 169.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -67.88 -12.03 59.86 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 119.867 -1.771 . . . . 0.0 113.705 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.94 -24.25 60.78 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.911 -1.118 . . . . 0.0 112.813 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.58 -20.58 31.25 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.086 -1.009 . . . . 0.0 112.866 169.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 125.891 1.676 . . . . 0.0 113.636 -171.093 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.16 142.26 27.69 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.329 1.451 . . . . 0.0 108.698 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.68 128.68 13.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.122 0.969 . . . . 0.0 110.876 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -136.79 165.01 26.93 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.736 0.815 . . . . 0.0 112.742 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.94 -138.22 49.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.211 0.91 . . . . 0.0 114.322 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.2 p -66.52 -22.05 66.17 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -69.28 -39.77 78.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.371 0.987 . . . . 0.0 111.213 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.34 -47.18 87.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.445 1.098 . . . . 0.0 110.613 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.44 -37.38 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.317 0.647 . . . . 0.0 112.189 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.79 -45.96 69.95 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.525 1.057 . . . . 0.0 111.998 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.48 99.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.686 -0.634 . . . . 0.0 111.749 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.33 -41.09 88.31 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.661 1.184 . . . . 0.0 111.835 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -44.64 96.89 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.449 1.022 . . . . 0.0 111.413 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.16 -35.24 68.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.54 1.136 . . . . 0.0 112.941 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.98 -38.58 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.29 1.036 . . . . 0.0 111.756 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.59 -27.5 55.82 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.423 -0.798 . . . . 0.0 112.59 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.7 42.15 99.71 Favored Glycine 0 CA--C 1.534 1.221 0 O-C-N 121.476 -0.765 . . . . 0.0 112.664 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.354 10.8 pt-20 53.69 26.34 5.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.429 2.291 . . . . 0.0 116.947 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -64.82 -16.66 63.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.627 1.171 . . . . 0.0 112.798 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.19 138.06 9.65 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.602 2.049 . . . . 0.0 112.003 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 124.098 0.959 . . . . 0.0 112.928 -174.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.307 9.6 tp . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.32 -24.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.62 -36.43 51.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.768 0.713 . . . . 0.0 112.702 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.8 -44.04 97.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.233 1.013 . . . . 0.0 112.067 -171.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -82.43 -14.59 54.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.238 1.015 . . . . 0.0 113.683 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -86.37 -37.02 18.84 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.552 0.741 . . . . 0.0 111.783 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -92.45 -18.6 23.01 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.421 1.488 . . . . 0.0 114.449 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -142.44 179.46 6.93 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.389 1.876 . . . . 0.0 111.296 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -75.84 152.52 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.207 -0.933 . . . . 0.0 112.058 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 m -133.61 128.19 34.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -95.43 167.41 11.34 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.83 1.652 . . . . 0.0 110.614 168.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -54.87 -31.15 59.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -69.33 -28.5 66.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.491 -0.755 . . . . 0.0 113.026 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.89 -30.72 56.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.437 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.33 -38.15 42.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.939 0.896 . . . . 0.0 112.109 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.3 -22.86 66.37 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.305 -1.497 . . . . 0.0 113.394 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.4 -34.46 77.79 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.324 -0.86 . . . . 0.0 112.255 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.48 -36.66 44.88 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.075 0.95 . . . . 0.0 111.648 171.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 123.209 0.603 . . . . 0.0 112.283 178.568 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -87.04 148.18 25.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.35 1.06 . . . . 0.0 109.985 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.3 mt -142.68 141.17 31.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.89 1.676 . . . . 0.0 110.08 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.58 156.96 46.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.08 0.952 . . . . 0.0 111.162 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -141.44 48.08 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 121.953 -0.467 . . . . 0.0 112.675 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -65.66 -25.41 67.33 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.59 -0.947 . . . . 0.0 113.469 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -68.42 -29.4 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.432 1.015 . . . . 0.0 112.678 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 tp -68.4 -37.58 80.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.2 0.6 . . . . 0.0 111.315 170.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.96 -42.07 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.143 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.98 -44.14 97.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.655 1.182 . . . . 0.0 112.245 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.36 86.39 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.395 -0.816 . . . . 0.0 112.493 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.68 -38.96 89.74 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.498 0.719 . . . . 0.0 111.58 172.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.88 -44.92 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.574 1.15 . . . . 0.0 111.833 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.21 -36.61 79.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.27 1.028 . . . . 0.0 112.749 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.24 -40.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.801 0.84 . . . . 0.0 111.432 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.12 -30.57 71.09 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.286 -0.884 . . . . 0.0 112.803 172.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.36 76.88 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 120.143 1.338 . . . . 0.0 112.656 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.261 14.4 tt0 60.97 27.57 17.43 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.628 1.971 . . . . 0.0 115.314 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -63.66 -17.53 63.03 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.624 -1.298 . . . . 0.0 113.535 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.69 130.18 5.89 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.89 1.71 . . . . 0.0 113.087 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 126.274 1.829 . . . . 0.0 110.217 -177.397 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.26 -30.72 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 123.404 0.682 . . . . 0.0 111.88 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.58 -43.49 69.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.97 1.308 . . . . 0.0 111.886 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.11 -11.39 60.73 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -170.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.58 -5.06 13.42 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.907 1.283 . . . . 0.0 113.992 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -102.23 -36.65 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.834 1.254 . . . . 0.0 112.993 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -83.56 -18.13 39.39 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.598 1.159 . . . . 0.0 113.254 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -136.48 164.64 27.69 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.37 2.268 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.4 pt -59.89 152.81 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.524 0.73 . . . . 0.0 112.139 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 t -123.97 144.03 50.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.205 1.002 . . . . 0.0 113.567 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -156.55 173.35 17.05 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.138 0.975 . . . . 0.0 113.509 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.05 -37.41 66.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.874 1.67 . . . . 0.0 112.032 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -64.99 -29.57 70.5 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -80.27 -36.43 34.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.303 1.041 . . . . 0.0 111.136 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.24 -40.16 62.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.816 0.846 . . . . 0.0 112.368 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.72 -29.69 70.86 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.772 -1.205 . . . . 0.0 112.594 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -62.94 -37.3 86.51 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.534 -0.729 . . . . 0.0 111.221 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -74.2 -30.4 62.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 172.403 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -105.27 159.73 15.65 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.773 1.629 . . . . 0.0 110.452 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -133.97 141.63 47.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.194 1.398 . . . . 0.0 110.68 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.71 159.54 42.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.759 0.823 . . . . 0.0 111.438 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.3 -138.71 39.38 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.848 0.737 . . . . 0.0 113.318 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -64.32 -20.26 65.97 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -68.67 -38.94 80.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.856 1.207 . . . . 0.0 111.52 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.51 -43.32 85.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.33 1.052 . . . . 0.0 110.746 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.408 0.683 . . . . 0.0 111.31 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.85 -43.24 84.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.189 0.904 . . . . 0.0 112.018 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.49 98.77 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.786 -0.572 . . . . 0.0 111.666 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.91 -42.23 97.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.899 0.88 . . . . 0.0 111.944 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.09 -43.89 91.86 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.434 1.094 . . . . 0.0 111.748 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.59 -34.26 71.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.303 1.041 . . . . 0.0 112.805 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.48 -39.47 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.868 0.867 . . . . 0.0 111.863 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.57 -23.9 58.83 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.25 0.62 . . . . 0.0 112.64 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.94 36.17 91.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.05 0.833 . . . . 0.0 113.664 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 60.31 21.05 10.54 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.053 1.741 . . . . 0.0 114.705 -174.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.25 -7.02 47.08 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.715 -1.241 . . . . 0.0 114.308 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.09 131.33 6.69 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.159 1.837 . . . . 0.0 113.106 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 126.679 1.992 . . . . 0.0 110.456 177.64 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.85 -25.07 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.946 0.899 . . . . 0.0 113.094 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.96 -41.77 18.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.43 0.692 . . . . 0.0 111.406 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -55.06 -47.44 74.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.841 0.857 . . . . 0.0 113.197 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -88.37 -7.12 57.18 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.69 -37.11 13.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.842 0.857 . . . . 0.0 111.996 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -89.0 -20.48 24.36 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.04 174.24 10.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.562 1.545 . . . . 0.0 112.606 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.83 138.84 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.645 1.578 . . . . 0.0 113.018 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m -139.28 156.5 47.01 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -153.38 -175.94 5.57 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.531 1.932 . . . . 0.0 109.932 169.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -45.73 -42.6 12.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.486 1.915 . . . . 0.0 113.544 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -65.8 -23.1 66.63 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -94.57 -31.47 13.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.398 1.079 . . . . 0.0 112.402 170.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.69 -40.3 72.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.599 0.76 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.9 -26.33 62.03 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.13 -0.982 . . . . 0.0 112.967 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.83 -29.93 67.27 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.539 1.136 . . . . 0.0 112.744 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -82.07 -14.49 55.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.795 0.838 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 124.174 0.99 . . . . 0.0 113.338 174.462 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -117.57 152.0 36.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.332 1.853 . . . . 0.0 109.849 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.2 mt -139.34 142.87 37.61 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.361 1.464 . . . . 0.0 110.264 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.31 155.63 46.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.864 0.866 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.97 -139.16 49.0 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 123.599 0.619 . . . . 0.0 112.715 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -64.71 -26.06 68.21 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -69.93 -28.71 65.8 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.497 1.044 . . . . 0.0 112.875 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.3 tp -71.41 -36.24 71.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.621 0.768 . . . . 0.0 111.329 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.63 -46.79 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.441 0.696 . . . . 0.0 110.74 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.45 -41.7 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.179 1.392 . . . . 0.0 112.422 176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.74 89.53 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.56 -0.713 . . . . 0.0 111.949 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.98 -41.46 99.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.832 0.853 . . . . 0.0 112.337 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -60.35 -42.57 96.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.929 1.692 . . . . 0.0 111.919 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.53 -32.73 48.13 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.443 1.097 . . . . 0.0 113.302 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.29 -46.03 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 111.509 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -19.59 36.61 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.96 57.62 4.01 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.688 1.137 . . . . 0.0 112.702 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 61.76 18.42 9.66 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.556 1.542 . . . . 0.0 114.364 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.31 59.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 135.8 2.22 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.392 1.472 . . . . 0.0 111.82 -169.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 125.438 1.495 . . . . 0.0 112.221 -170.302 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.46 -45.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.87 -44.68 96.33 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.161 0.891 . . . . 0.0 112.051 -172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -57.46 -32.54 67.05 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.153 0.981 . . . . 0.0 112.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -90.92 -8.57 48.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 114.458 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -97.8 -42.63 7.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 111.843 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -82.42 -21.97 35.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.122 0.969 . . . . 0.0 113.181 178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -143.4 179.49 7.07 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.164 1.786 . . . . 0.0 110.731 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 pt -80.66 149.09 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.885 1.274 . . . . 0.0 112.411 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.14 126.69 26.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.509 1.123 . . . . 0.0 112.136 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -70.57 161.01 31.44 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.062 0.945 . . . . 0.0 111.351 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.68 -32.95 63.69 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.667 0.787 . . . . 0.0 111.052 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -64.91 -30.06 71.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.283 1.033 . . . . 0.0 113.062 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -77.02 -36.33 56.36 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.204 1.002 . . . . 0.0 110.97 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.11 -33.11 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.988 0.515 . . . . 0.0 112.255 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.87 -30.31 70.78 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.707 -1.246 . . . . 0.0 112.862 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.6 -24.52 66.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.181 -0.95 . . . . 0.0 111.853 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -89.02 -23.34 22.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.573 1.149 . . . . 0.0 112.696 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.472 0.646 0 CA-C-N 118.907 0.776 . . . . 0.0 111.551 168.692 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 CA--C 1.542 0.644 0 CA-C-O 121.264 0.554 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -125.44 143.73 50.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.247 1.819 . . . . 0.0 110.219 172.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -140.54 150.87 44.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.314 1.446 . . . . 0.0 110.851 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.8 m -127.63 155.47 43.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.355 1.062 . . . . 0.0 111.681 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.98 46.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.918 0.771 . . . . 0.0 113.763 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -63.36 -23.39 67.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -65.11 -40.09 94.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.317 0.962 . . . . 0.0 111.377 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.74 -42.34 82.0 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.377 0.671 . . . . 0.0 111.367 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.87 -39.86 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.905 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.17 -40.94 90.87 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.064 0.847 . . . . 0.0 112.661 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.28 99.73 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.132 0.878 . . . . 0.0 112.027 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.6 -44.68 89.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 110.479 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.86 -46.43 87.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.215 1.406 . . . . 0.0 112.097 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.89 -30.7 70.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.569 1.147 . . . . 0.0 112.583 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.56 -42.15 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.147 0.979 . . . . 0.0 111.655 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 40.0 m -68.26 -33.79 75.02 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 0.958 . . . . 0.0 112.659 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.42 50.59 31.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.252 0.929 . . . . 0.0 113.244 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 64.53 11.11 6.36 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -21.0 64.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 138.68 6.33 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.782 1.658 . . . . 0.0 113.445 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 126.555 1.942 . . . . 0.0 110.973 -174.457 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.45 -29.53 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.85 -35.47 19.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.676 -0.678 . . . . 0.0 112.799 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -66.31 -38.93 88.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.175 1.352 . . . . 0.0 113.342 -171.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 m -80.89 -19.47 44.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.278 1.031 . . . . 0.0 113.445 173.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.58 -34.65 23.14 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.392 0.677 . . . . 0.0 112.428 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -97.17 -14.7 21.29 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.812 1.645 . . . . 0.0 114.001 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -144.0 -177.05 5.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.414 1.486 . . . . 0.0 111.821 171.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 pt -67.04 139.89 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.829 0.823 . . . . 0.0 112.13 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 t -101.5 160.78 14.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.998 1.319 . . . . 0.0 111.264 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.84 161.6 38.36 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.142 -0.974 . . . . 0.0 112.269 171.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.45 -33.82 55.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.172 1.389 . . . . 0.0 111.999 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -64.8 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 112.956 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -75.08 -38.63 61.22 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.446 0.698 . . . . 0.0 110.909 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.32 -43.16 98.57 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.718 0.69 . . . . 0.0 111.347 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.98 -33.43 74.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.777 -1.202 . . . . 0.0 112.227 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.41 -29.7 70.42 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.287 -0.883 . . . . 0.0 113.034 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.33 -18.71 51.97 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.861 0.864 . . . . 0.0 113.294 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 124.586 1.155 . . . . 0.0 112.46 174.375 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -87.92 159.67 18.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.362 1.465 . . . . 0.0 109.982 169.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.6 mt -139.98 130.77 25.92 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.013 1.725 . . . . 0.0 109.93 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -139.51 157.59 45.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 111.613 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.2 -137.29 49.54 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.695 0.664 . . . . 0.0 113.028 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -65.1 -21.13 66.76 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -67.5 -37.41 82.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.966 1.257 . . . . 0.0 111.775 174.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.28 -39.4 78.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.289 1.036 . . . . 0.0 111.122 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.96 -41.1 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.496 0.718 . . . . 0.0 111.393 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.05 -41.31 95.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.928 0.891 . . . . 0.0 111.854 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.87 99.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.445 -0.785 . . . . 0.0 112.0 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.84 -40.82 96.65 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.657 0.783 . . . . 0.0 112.011 174.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -43.54 98.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 111.539 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.51 -31.09 68.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.803 0.841 . . . . 0.0 112.936 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -77.9 -34.92 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.141 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -5.85 13.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.988 1.267 . . . . 0.0 114.413 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.27 -66.45 0.73 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.426 2.441 . . . . 0.0 114.673 171.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -149.4 -3.26 0.42 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.429 1.892 . . . . 0.0 113.657 -169.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.93 -24.24 67.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.209 1.404 . . . . 0.0 114.751 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.73 136.24 3.43 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.806 1.193 . . . . 0.0 111.004 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 124.203 1.001 . . . . 0.0 112.957 -168.42 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.301 9.0 tp . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -116.46 -23.38 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.887 1.675 . . . . 0.0 113.527 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.91 -43.12 96.88 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.685 -0.635 . . . . 0.0 112.489 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -62.66 -30.99 71.79 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -94.23 -10.47 32.88 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.64 -38.68 9.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.823 1.249 . . . . 0.0 112.181 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.4 -19.51 26.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.805 1.242 . . . . 0.0 113.563 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -143.82 -177.42 5.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.198 1.799 . . . . 0.0 110.833 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -87.61 147.41 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.373 1.069 . . . . 0.0 113.487 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -137.63 127.73 25.96 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.929 1.691 . . . . 0.0 113.422 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.6 p -80.86 174.69 11.37 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.234 1.414 . . . . 0.0 111.453 167.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.98 -34.96 72.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.544 -0.722 . . . . 0.0 111.008 169.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.92 -32.57 72.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.434 1.093 . . . . 0.0 112.654 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -76.41 -18.74 58.68 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.14 -36.14 21.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.555 1.142 . . . . 0.0 111.317 170.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.31 -21.69 50.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.058 1.343 . . . . 0.0 112.474 169.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.68 -30.84 45.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.553 170.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -98.16 -32.8 11.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.952 1.301 . . . . 0.0 112.845 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.926 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -132.35 142.75 49.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.492 1.517 . . . . 0.0 110.246 171.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -146.17 149.32 33.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.908 1.683 . . . . 0.0 110.027 -170.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.93 159.38 42.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.352 0.661 . . . . 0.0 111.613 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.18 -143.43 45.94 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.601 0.62 . . . . 0.0 113.193 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -61.22 -23.32 65.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -66.91 -38.71 86.74 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.387 0.994 . . . . 0.0 111.735 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -71.54 -39.96 70.37 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.832 0.853 . . . . 0.0 111.031 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.1 -43.86 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.586 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.86 -44.78 92.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.096 0.862 . . . . 0.0 112.74 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.71 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.047 0.84 . . . . 0.0 111.854 174.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.1 -37.03 85.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.642 0.777 . . . . 0.0 111.742 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.89 -45.12 94.02 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.461 1.104 . . . . 0.0 111.628 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.82 -33.49 74.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.927 0.891 . . . . 0.0 112.709 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.01 -42.28 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 111.194 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.54 -25.79 61.51 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.027 -1.046 . . . . 0.0 113.172 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 42.47 97.44 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 120.126 1.33 . . . . 0.0 113.904 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 62.41 15.91 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -68.95 -14.21 62.9 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.689 -1.257 . . . . 0.0 113.869 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 134.38 5.12 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.013 1.768 . . . . 0.0 113.676 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 125.961 1.704 . . . . 0.0 111.249 -178.523 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.99 -28.87 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -89.82 -50.9 5.78 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.004 0.521 . . . . 0.0 111.069 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.5 -31.46 70.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.25 -1.88 40.91 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.952 0.901 . . . . 0.0 113.096 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -97.75 -50.72 4.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.782 1.233 . . . . 0.0 110.65 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -84.35 -14.73 48.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 113.861 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -148.43 -171.63 3.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.973 1.709 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.0 pt -92.21 152.99 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.98 1.712 . . . . 0.0 112.173 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.7 m -137.31 139.83 41.13 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.347 1.059 . . . . 0.0 112.224 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 p -85.78 164.2 17.72 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.37 1.068 . . . . 0.0 112.395 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.51 -31.07 72.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.439 -0.788 . . . . 0.0 111.955 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -75.59 -34.97 60.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.601 1.16 . . . . 0.0 111.777 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.44 -30.52 69.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.122 0.969 . . . . 0.0 111.557 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.25 -30.96 43.4 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.49 -21.67 65.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.738 1.153 . . . . 0.0 113.497 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -56.22 -29.7 61.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.327 1.051 . . . . 0.0 112.669 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -93.74 -6.21 46.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.811 1.245 . . . . 0.0 113.598 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 0.0 113.997 170.797 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.08 155.05 18.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.105 1.362 . . . . 0.0 109.827 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.84 -89.17 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.445 1.098 . . . . 0.0 111.591 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 61.92 174.01 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.177 2.591 . . . . 0.0 113.935 -171.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.83 -137.43 46.27 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.153 -0.967 . . . . 0.0 113.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -76.63 -19.17 58.09 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -60.99 -35.94 78.15 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.93 1.241 . . . . 0.0 111.313 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.04 -38.02 89.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.771 1.628 . . . . 0.0 112.392 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.61 -41.34 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.243 1.017 . . . . 0.0 110.986 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.98 -42.53 84.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.444 1.098 . . . . 0.0 112.651 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.56 96.84 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.731 -0.606 . . . . 0.0 111.711 174.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -46.1 91.35 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.106 0.962 . . . . 0.0 110.683 174.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -48.24 78.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.721 1.208 . . . . 0.0 111.557 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.55 -33.15 72.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.391 1.076 . . . . 0.0 112.991 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 t -67.77 -43.23 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.192 0.997 . . . . 0.0 111.346 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.0 m -69.03 -44.3 72.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.782 0.719 . . . . 0.0 112.577 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.04 50.23 5.96 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.461 1.029 . . . . 0.0 112.922 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 59.4 32.45 21.82 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.536 1.534 . . . . 0.0 113.701 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.64 -16.55 59.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 0.0 114.764 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 117.11 0.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.455 1.503 . . . . 0.0 109.957 -167.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 124.286 1.035 . . . . 0.0 112.73 -169.047 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -37.19 -47.56 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 127.383 2.273 . . . . 0.0 115.159 -173.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -70.0 -21.01 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.23 -28.72 17.63 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.995 0.816 . . . . 0.0 112.759 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.58 -35.42 80.93 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -169.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.22 -12.64 17.86 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.8 t -83.27 -41.76 17.95 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.392 -0.817 . . . . 0.0 111.42 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -94.13 -19.06 21.15 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.146 1.379 . . . . 0.0 113.955 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -142.67 -174.75 4.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.407 1.883 . . . . 0.0 110.859 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 pt -88.76 151.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.259 1.023 . . . . 0.0 112.847 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 p -141.66 152.24 43.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -122.74 174.36 7.16 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.742 2.017 . . . . 0.0 110.971 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.39 -36.74 66.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.089 -1.007 . . . . 0.0 111.769 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -64.59 -25.5 67.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.53 1.132 . . . . 0.0 113.371 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -85.14 -33.69 22.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.53 1.132 . . . . 0.0 111.568 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.82 -36.64 84.56 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.477 1.035 . . . . 0.0 111.888 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.16 -11.98 17.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 174.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -67.95 -24.64 65.19 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.128 -0.982 . . . . 0.0 112.566 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.72 -6.42 23.73 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.805 1.242 . . . . 0.0 113.453 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.84 156.57 1.43 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.274 1.43 . . . . 0.0 111.738 168.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -59.19 148.75 30.48 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.283 1.833 . . . . 0.0 112.064 170.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 C-N-CA 125.654 1.597 . . . . 0.0 112.45 -176.48 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.7 p90 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.279 0.085 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -50.85 138.15 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.583 1.553 . . . . 0.0 114.321 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -87.97 22.84 2.24 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -78.74 144.46 35.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.522 1.129 . . . . 0.0 113.331 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -111.82 146.22 38.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.805 1.642 . . . . 0.0 109.652 168.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -141.22 138.19 33.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.064 1.746 . . . . 0.0 109.649 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.86 156.08 46.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.926 0.89 . . . . 0.0 110.889 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.34 -136.38 50.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.47 0.557 . . . . 0.0 113.497 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.7 p -63.4 -23.83 67.58 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -67.29 -37.74 83.88 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.35 0.977 . . . . 0.0 111.528 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.8 -38.85 70.2 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.355 1.062 . . . . 0.0 111.484 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.59 -43.09 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-O 118.902 -0.57 . . . . 0.0 110.998 171.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.29 -39.92 93.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.775 1.17 . . . . 0.0 112.522 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.0 89.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.196 -0.94 . . . . 0.0 111.881 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.94 -35.41 80.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.489 0.716 . . . . 0.0 112.291 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.85 -38.78 92.16 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.856 -1.153 . . . . 0.0 111.225 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.88 -35.78 59.75 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.882 -1.136 . . . . 0.0 113.112 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.89 -30.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.071 0.948 . . . . 0.0 111.927 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -135.42 -12.11 2.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 -169.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.08 -18.49 54.91 Favored Glycine 0 N--CA 1.479 1.515 0 CA-C-N 120.75 1.614 . . . . 0.0 115.495 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -88.96 -9.69 50.5 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.015 1.326 . . . . 0.0 113.33 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -112.55 -19.78 11.98 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.494 2.318 . . . . 0.0 113.02 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.74 156.22 32.36 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.779 2.133 . . . . 0.0 111.628 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.52 165.48 36.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.483 1.113 . . . . 0.0 112.957 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -113.88 120.29 40.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.366 1.466 . . . . 0.0 110.36 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -108.85 -6.11 15.93 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.229 1.412 . . . . 0.0 113.574 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -67.85 149.52 98.19 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 125.297 1.439 . . . . 0.0 111.466 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -62.38 -30.37 80.51 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.926 2.417 . . . . 0.0 113.587 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -153.65 150.41 28.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.218 1.807 . . . . 0.0 109.728 167.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -141.62 -176.34 4.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.406 1.882 . . . . 0.0 110.102 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -77.76 41.9 0.36 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.586 1.954 . . . . 0.0 112.855 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.968 2.507 . . . . 0.0 110.9 -178.463 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 CA-C-O 119.104 -0.831 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp -49.1 -39.45 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 127.094 2.157 . . . . 0.0 114.553 -173.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -102.19 -40.03 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.164 0.986 . . . . 0.0 112.617 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.61 -28.17 45.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.55 -20.34 66.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.206 0.912 . . . . 0.0 112.978 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -102.72 -24.57 13.73 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.83 1.252 . . . . 0.0 114.24 170.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.02 -30.67 16.66 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.645 0.778 . . . . 0.0 113.095 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -105.09 -18.14 14.25 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.178 1.391 . . . . 0.0 113.541 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.03 162.12 35.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.969 2.108 . . . . 0.0 110.613 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -71.47 146.29 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.716 -0.615 . . . . 0.0 111.93 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -141.8 157.23 45.27 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.7 p -105.79 165.46 11.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.43 -33.1 72.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.791 0.837 . . . . 0.0 110.843 169.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -66.45 -34.27 77.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.711 0.804 . . . . 0.0 112.494 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -73.56 -36.05 65.57 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.418 -0.801 . . . . 0.0 112.048 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.27 -37.49 87.66 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.443 -0.786 . . . . 0.0 111.74 171.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.44 -29.14 68.53 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.847 -1.158 . . . . 0.0 113.098 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.31 -33.05 72.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.127 -0.983 . . . . 0.0 111.901 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.64 -36.17 70.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.222 0.609 . . . . 0.0 112.114 170.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.07 -43.41 82.7 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.71 1.204 . . . . 0.0 112.783 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 62.85 159.71 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.185 2.194 . . . . 0.0 114.262 -168.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 C-N-CA 125.249 1.404 . . . . 0.0 113.039 -174.775 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.56 0.219 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.4 t -72.96 125.83 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.11 0.964 . . . . 0.0 109.923 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -101.0 20.12 16.12 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -168.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -85.5 143.5 28.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.125 0.97 . . . . 0.0 113.156 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -109.78 132.1 54.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.806 1.643 . . . . 0.0 109.497 167.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.59 133.56 24.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.254 1.422 . . . . 0.0 110.694 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.28 160.51 40.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.269 1.027 . . . . 0.0 110.985 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -137.92 45.36 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.404 0.526 . . . . 0.0 113.134 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -64.87 -23.06 67.12 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -65.24 -40.25 93.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.635 1.107 . . . . 0.0 111.351 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.87 -43.84 78.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.922 0.889 . . . . 0.0 110.926 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.52 -44.72 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.451 0.569 . . . . 0.0 111.007 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.69 -41.72 92.06 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.097 0.862 . . . . 0.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.17 97.01 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.45 -0.781 . . . . 0.0 111.55 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.59 -41.52 94.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.424 1.09 . . . . 0.0 110.855 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.45 -49.4 77.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.424 1.09 . . . . 0.0 111.959 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.64 -32.8 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.681 0.792 . . . . 0.0 112.758 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.05 -38.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.931 0.892 . . . . 0.0 112.053 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -75.08 -31.31 61.18 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.234 1.013 . . . . 0.0 112.39 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.22 36.89 93.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.479 0.562 . . . . 0.0 113.189 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 62.35 25.05 14.95 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.011 1.724 . . . . 0.0 115.586 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -64.42 -16.55 62.58 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.453 1.101 . . . . 0.0 113.188 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.96 121.54 3.61 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 126.495 1.998 . . . . 0.0 112.69 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -152.24 159.99 43.44 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 112.142 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -98.49 -32.8 11.28 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.292 1.589 . . . . 0.0 115.292 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.5 p90 44.76 1.46 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 m -59.13 126.7 82.4 Favored Pre-proline 0 N--CA 1.475 0.787 0 CA-C-N 120.152 1.342 . . . . 0.0 111.752 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.82 106.23 1.95 Allowed 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.247 2.631 . . . . 0.0 110.79 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -137.9 161.69 35.98 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.09 1.756 . . . . 0.0 111.742 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -94.0 4.44 53.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.804 1.642 . . . . 0.0 114.526 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.0 -1.52 13.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.696 1.598 . . . . 0.0 114.298 -169.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.248 0.985 0 C-N-CA 127.251 2.22 . . . . 0.0 110.583 175.627 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.791 -0.124 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -42.87 -46.17 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.715 2.406 . . . . 0.0 115.877 -169.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -80.73 -19.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.16 -33.6 19.34 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.499 -0.751 . . . . 0.0 112.44 -172.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.25 -22.14 64.78 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -172.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.2 m -100.35 -20.8 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.357 1.463 . . . . 0.0 113.737 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.4 t -93.16 -37.7 11.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.919 0.888 . . . . 0.0 113.34 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -86.43 -23.15 26.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.343 1.057 . . . . 0.0 113.358 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -152.07 176.2 11.77 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.596 1.958 . . . . 0.0 109.483 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -75.15 147.12 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.366 -0.834 . . . . 0.0 112.266 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -133.78 168.14 19.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.907 1.283 . . . . 0.0 112.536 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -110.89 163.93 13.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.083 1.353 . . . . 0.0 114.32 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.61 -27.02 57.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.448 0.699 . . . . 0.0 112.547 169.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.73 -30.45 68.07 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.237 -0.914 . . . . 0.0 112.357 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -74.83 -34.9 62.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.245 1.018 . . . . 0.0 111.427 171.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.33 -38.25 81.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.4 -24.16 67.54 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.467 -1.395 . . . . 0.0 113.147 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.92 -35.63 69.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.197 -0.939 . . . . 0.0 112.211 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.33 -21.69 61.29 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.354 -0.841 . . . . 0.0 112.763 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -78.69 -1.29 33.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.239 1.816 . . . . 0.0 113.553 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.88 137.86 54.21 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.261 -1.525 . . . . 0.0 111.795 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 C-N-CA 125.318 1.437 . . . . 0.0 113.106 177.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.583 0.23 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -83.68 139.88 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.33 1.052 . . . . 0.0 112.335 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -85.88 40.49 0.86 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.472 1.509 . . . . 0.0 112.927 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -93.58 96.6 9.96 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.472 1.109 . . . . 0.0 113.948 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -92.06 114.98 27.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.733 1.613 . . . . 0.0 109.072 167.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.57 135.81 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.189 1.396 . . . . 0.0 110.013 173.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.04 157.96 44.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.943 0.897 . . . . 0.0 111.123 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 -136.42 49.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.88 0.752 . . . . 0.0 113.325 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.9 p -63.48 -23.0 67.21 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -70.41 -34.02 72.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.6 1.091 . . . . 0.0 111.671 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.94 -39.8 69.16 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.15 0.98 . . . . 0.0 111.48 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.91 -45.04 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.65 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.56 -47.41 81.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.909 0.884 . . . . 0.0 112.577 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.16 89.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.026 0.83 . . . . 0.0 111.945 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.01 -39.71 93.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.023 0.929 . . . . 0.0 112.547 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.15 -43.99 98.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.292 1.037 . . . . 0.0 110.842 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.26 -38.15 68.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.466 1.106 . . . . 0.0 113.022 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.97 -38.26 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 118.829 0.741 . . . . 0.0 111.764 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.59 -23.58 45.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.308 1.043 . . . . 0.0 113.155 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.42 32.71 85.09 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.114 0.864 . . . . 0.0 113.186 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 58.42 23.9 11.15 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.062 1.745 . . . . 0.0 114.876 -172.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -27.23 68.28 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.483 -1.386 . . . . 0.0 112.943 173.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.46 121.68 2.6 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 126.711 2.1 . . . . 0.0 111.982 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -140.87 159.97 41.07 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.07 -48.79 80.26 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.96 -1.087 . . . . 0.0 113.043 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.7 19.49 0.11 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -48.43 116.25 4.91 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 125.149 1.38 . . . . 0.0 111.909 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -78.4 148.46 23.65 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.997 2.465 . . . . 0.0 113.099 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -89.82 19.43 4.78 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.778 1.631 . . . . 0.0 113.467 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p -69.12 165.64 19.91 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.182 1.793 . . . . 0.0 112.591 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -63.85 116.09 5.46 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.778 0.831 . . . . 0.0 110.058 172.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.781 2.032 . . . . 0.0 111.499 -169.694 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt -34.79 -55.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 127.126 2.171 . . . . 0.0 114.893 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.3 -15.23 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.19 -33.84 13.14 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.517 1.127 . . . . 0.0 112.337 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.06 -38.79 80.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.146 0.885 . . . . 0.0 112.56 -171.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.25 -13.71 21.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.709 1.204 . . . . 0.0 113.815 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.35 -34.42 17.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.14 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.1 p -92.36 -17.76 24.23 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.215 1.406 . . . . 0.0 114.185 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -148.62 174.11 12.48 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.409 1.483 . . . . 0.0 111.273 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 pt -78.36 145.37 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.005 0.922 . . . . 0.0 112.674 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.05 152.97 48.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.574 1.55 . . . . 0.0 112.796 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 p -112.36 176.13 5.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.233 2.213 . . . . 0.0 111.354 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 mt -54.68 -36.5 64.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.521 0.728 . . . . 0.0 111.486 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.06 -33.11 61.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.064 1.345 . . . . 0.0 112.29 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -69.94 -27.67 64.94 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.619 -0.676 . . . . 0.0 112.159 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.57 -37.7 49.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.569 0.748 . . . . 0.0 112.339 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.15 -26.63 51.13 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.844 -1.16 . . . . 0.0 113.219 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -53.15 -30.57 37.71 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.77 1.628 . . . . 0.0 113.371 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -96.64 -0.72 48.08 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 113.142 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -99.23 -33.12 10.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.517 1.527 . . . . 0.0 111.473 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -153.06 131.13 11.86 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.011 1.324 . . . . 0.0 110.985 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.078 1.323 . . . . 0.0 113.174 178.117 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.11 130.87 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.801 1.641 . . . . 0.0 109.565 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -70.68 109.49 4.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -137.58 161.42 36.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.769 1.228 . . . . 0.0 114.105 -167.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -76.42 139.76 41.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.648 1.179 . . . . 0.0 111.73 171.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -144.14 135.55 25.73 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.722 2.009 . . . . 0.0 110.142 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -142.36 159.42 42.27 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.997 0.919 . . . . 0.0 111.218 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.43 -139.23 44.91 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.606 0.622 . . . . 0.0 113.173 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -66.62 -19.14 65.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -66.99 -37.86 84.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.912 1.233 . . . . 0.0 111.668 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -67.39 -40.37 85.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.367 1.067 . . . . 0.0 111.057 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.68 -42.96 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.525 0.73 . . . . 0.0 111.44 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.05 -43.48 87.35 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.928 0.785 . . . . 0.0 112.244 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.83 98.71 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.596 -0.69 . . . . 0.0 111.52 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.1 -39.24 91.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.458 0.703 . . . . 0.0 111.799 172.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -62.44 -42.9 99.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.356 0.98 . . . . 0.0 111.659 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.46 -35.75 75.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.196 0.999 . . . . 0.0 112.732 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.8 -44.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.223 1.009 . . . . 0.0 111.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -78.04 -26.59 48.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.782 0.833 . . . . 0.0 112.985 -175.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.55 64.93 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.046 1.308 . . . . 0.0 115.273 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.86 20.58 9.49 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.072 1.749 . . . . 0.0 115.528 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -21.28 64.14 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.684 -1.26 . . . . 0.0 112.859 169.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.3 127.46 3.76 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.5 2.0 . . . . 0.0 112.094 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -75.81 156.89 34.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.165 1.386 . . . . 0.0 112.506 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -116.72 -0.72 12.27 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.893 2.077 . . . . 0.0 112.88 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 29.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.685 2.394 . . . . 0.0 116.974 -173.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.9 m -47.73 131.55 11.18 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 127.869 2.467 . . . . 0.0 112.71 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -62.73 132.81 39.1 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.797 2.331 . . . . 0.0 111.154 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 56.34 16.76 2.54 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.111 1.764 . . . . 0.0 114.836 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.296 3.6 t 49.84 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.997 2.519 . . . . 0.0 114.992 -173.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -65.54 142.71 58.02 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.332 1.453 . . . . 0.0 110.53 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.599 1.56 . . . . 0.0 112.249 -175.843 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 N-CA-C 112.617 -0.193 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -44.28 -60.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 127.16 2.184 . . . . 0.0 113.71 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -77.93 -9.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -93.63 -37.78 11.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.146 1.379 . . . . 0.0 111.079 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -70.06 -26.71 64.14 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 m -93.22 -15.04 26.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 170.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.4 t -92.41 -33.51 14.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.968 0.907 . . . . 0.0 112.805 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -98.58 -18.77 17.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.535 1.534 . . . . 0.0 113.753 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 m -138.04 158.08 45.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.175 2.19 . . . . 0.0 109.539 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 pt -60.81 140.09 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.652 -0.655 . . . . 0.0 112.561 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.92 164.73 17.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.606 1.162 . . . . 0.0 112.528 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 t -152.68 144.77 23.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.387 1.075 . . . . 0.0 111.109 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -53.59 -32.45 51.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.631 1.173 . . . . 0.0 111.714 171.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -74.21 -33.64 63.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.65 0.78 . . . . 0.0 112.398 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -77.68 -32.53 53.18 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.822 -0.549 . . . . 0.0 111.756 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.35 -43.23 98.3 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.336 -0.853 . . . . 0.0 110.876 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.15 -33.29 74.22 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.451 -1.405 . . . . 0.0 112.787 170.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.24 -38.6 91.81 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.387 -0.82 . . . . 0.0 111.027 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -70.38 -32.42 70.07 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.326 -0.858 . . . . 0.0 112.487 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.6 m -66.67 -40.59 88.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.882 0.765 . . . . 0.0 112.154 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -90.86 -36.43 14.2 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 C-N-CA 125.828 1.68 . . . . 0.0 112.029 176.318 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.664 0.268 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.63 133.31 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.634 1.173 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.23 58.97 2.17 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.502 1.521 . . . . 0.0 113.267 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -123.4 151.78 42.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.326 1.45 . . . . 0.0 113.285 -174.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -81.5 153.23 26.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.201 1.4 . . . . 0.0 111.873 169.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -138.67 136.76 36.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.028 1.731 . . . . 0.0 109.482 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -145.37 159.68 42.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.723 0.809 . . . . 0.0 111.426 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.55 -141.03 42.48 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.754 0.692 . . . . 0.0 113.17 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.6 p -64.19 -22.6 67.0 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -64.92 -40.85 95.7 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.57 1.077 . . . . 0.0 111.303 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.26 -40.8 74.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.783 0.833 . . . . 0.0 111.517 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.11 -43.7 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.108 0.563 . . . . 0.0 110.717 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.92 -42.9 89.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.237 0.926 . . . . 0.0 112.164 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.37 97.97 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.444 -0.785 . . . . 0.0 111.7 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.23 -40.78 98.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.765 0.826 . . . . 0.0 111.735 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.26 -42.82 92.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.034 0.934 . . . . 0.0 111.82 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.88 -34.07 68.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.506 1.122 . . . . 0.0 113.049 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.33 -39.65 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.709 0.803 . . . . 0.0 112.218 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -74.8 -36.04 62.47 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.224 0.92 . . . . 0.0 111.679 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.27 55.63 5.57 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.21 0.909 . . . . 0.0 113.282 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.35 37.33 25.9 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.941 1.296 . . . . 0.0 113.473 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.56 -12.41 60.21 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -170.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.07 32.87 30.85 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.878 0.751 . . . . 0.0 113.072 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -72.58 172.38 10.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.268 1.827 . . . . 0.0 112.425 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.01 132.08 46.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.068 1.347 . . . . 0.0 110.793 169.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -84.77 -18.05 36.3 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.861 0.864 . . . . 0.0 112.836 173.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.7 m -60.96 137.8 93.92 Favored Pre-proline 0 N--CA 1.473 0.695 0 C-N-CA 124.554 1.142 . . . . 0.0 110.598 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.58 135.36 55.5 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.207 2.605 . . . . 0.0 113.135 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -14.65 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.52 1.128 . . . . 0.0 113.524 -169.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -83.82 156.18 22.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.764 1.626 . . . . 0.0 112.782 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -144.57 144.41 31.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.671 1.588 . . . . 0.0 111.018 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.178 1.791 . . . . 0.0 111.423 177.579 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 CA-C-O 121.065 0.258 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.26 -52.54 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.49 1.916 . . . . 0.0 114.733 -172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -73.23 -29.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -74.6 -27.78 60.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.026 0.931 . . . . 0.0 112.25 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -52.34 -32.15 36.84 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.774 1.63 . . . . 0.0 113.273 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 -17.58 8.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -87.78 -18.8 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.552 1.069 . . . . 0.0 113.335 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -132.49 -41.18 0.97 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.458 1.103 . . . . 0.0 111.504 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.5 m -83.71 176.44 8.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.278 1.031 . . . . 0.0 110.202 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 pt -102.76 139.5 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.476 1.11 . . . . 0.0 111.358 170.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.69 151.96 32.76 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -171.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 p -110.72 162.4 14.8 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.381 1.472 . . . . 0.0 113.217 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.27 -34.79 74.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.518 0.727 . . . . 0.0 110.823 170.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.97 -33.85 76.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.006 0.922 . . . . 0.0 112.416 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -73.64 -38.1 65.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.177 0.991 . . . . 0.0 111.762 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.03 -32.58 74.14 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.203 -0.935 . . . . 0.0 112.434 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.89 -30.54 71.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.687 0.795 . . . . 0.0 112.862 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -66.23 -26.93 67.6 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.284 0.947 . . . . 0.0 112.464 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.15 -8.34 53.89 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.343 1.057 . . . . 0.0 113.825 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.29 150.01 49.5 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.987 -1.071 . . . . 0.0 112.33 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 11.99 3.11 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 126.542 1.937 . . . . 0.0 115.618 -174.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.138 0 C-N-CA 125.062 1.315 . . . . 0.0 113.402 177.328 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 p90 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.26 -8.74 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -76.89 55.37 1.09 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 128.294 2.638 . . . . 0.0 111.947 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -135.27 150.64 50.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.735 1.614 . . . . 0.0 112.701 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -119.01 153.07 35.27 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.916 1.286 . . . . 0.0 112.378 169.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.3 mt -156.8 150.28 24.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.891 2.476 . . . . 0.0 109.457 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -147.39 159.55 43.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.302 -0.873 . . . . 0.0 111.983 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.08 -136.07 50.92 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.927 0.775 . . . . 0.0 113.43 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -62.26 -22.79 66.27 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -70.17 -36.41 74.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.816 1.189 . . . . 0.0 111.694 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -73.01 -37.84 66.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.095 0.958 . . . . 0.0 111.169 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.11 -42.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.757 -0.589 . . . . 0.0 111.347 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.52 -37.9 89.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.587 1.085 . . . . 0.0 112.31 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.08 94.38 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.384 -0.822 . . . . 0.0 111.857 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.07 -44.64 83.27 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.708 1.203 . . . . 0.0 110.539 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.04 -46.42 90.79 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.63 1.572 . . . . 0.0 112.096 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.6 -34.15 64.93 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.599 1.16 . . . . 0.0 112.665 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -74.16 -38.83 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.042 0.937 . . . . 0.0 111.643 175.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -70.79 -29.82 66.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.799 0.84 . . . . 0.0 111.964 173.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.29 45.62 8.69 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 124.746 1.165 . . . . 0.0 113.864 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 58.93 27.19 15.91 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.153 1.381 . . . . 0.0 113.954 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -19.95 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.778 -1.202 . . . . 0.0 113.959 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 126.21 1.41 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.243 1.401 . . . . 0.0 111.094 -171.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.04 172.15 18.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.457 1.103 . . . . 0.0 112.301 -169.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.8 150.57 44.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.07 1.748 . . . . 0.0 108.76 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -79.94 53.32 1.66 Allowed 'General case' 0 CA--C 1.55 0.973 0 CA-C-O 123.114 1.435 . . . . 0.0 111.761 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.3 m -76.56 136.27 67.91 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 126.477 1.911 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -59.14 -38.41 86.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.829 2.353 . . . . 0.0 116.141 -174.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm 44.14 46.35 7.25 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.377 1.471 . . . . 0.0 113.512 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.0 m -58.54 136.25 57.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.234 1.414 . . . . 0.0 111.089 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -120.07 143.64 48.01 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.199 1.4 . . . . 0.0 112.246 -170.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.7 2.4 . . . . 0.0 113.366 -179.418 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -49.77 -41.51 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.551 1.14 . . . . 0.0 113.322 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.31 -21.83 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.285 1.434 . . . . 0.0 113.806 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.0 -50.46 5.09 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.649 1.179 . . . . 0.0 110.312 170.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 -31.45 72.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.628 0.974 . . . . 0.0 113.628 -169.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.6 m -95.81 -9.67 30.98 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -107.06 -40.43 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.834 0.854 . . . . 0.0 112.616 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -80.46 -17.55 51.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.23 1.012 . . . . 0.0 113.554 172.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -146.43 -179.69 6.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.087 1.755 . . . . 0.0 111.367 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.37 153.32 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.018 0.927 . . . . 0.0 113.467 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 m -135.55 156.57 48.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.752 1.621 . . . . 0.0 112.123 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -149.87 170.38 18.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.618 1.967 . . . . 0.0 109.931 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.84 -40.23 55.44 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.56 1.544 . . . . 0.0 112.439 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -65.32 -28.25 69.17 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -91.24 -29.66 17.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.309 1.044 . . . . 0.0 112.205 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.83 -37.39 87.45 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.201 -0.937 . . . . 0.0 111.089 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -25.71 67.08 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.649 -1.282 . . . . 0.0 112.976 170.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -67.01 -35.7 80.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.095 0.958 . . . . 0.0 112.268 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -78.02 -30.42 49.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.569 -0.707 . . . . 0.0 112.044 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.2 t -74.55 -32.28 62.38 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.125 1.37 . . . . 0.0 113.488 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -68.54 150.9 47.5 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.612 1.165 . . . . 0.0 112.386 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.085 1.326 . . . . 0.0 113.011 -179.19 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.73 6.87 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -60.13 98.91 0.06 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.325 1.85 . . . . 0.0 111.066 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -136.68 159.14 42.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.674 1.19 . . . . 0.0 113.625 -169.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -82.49 145.25 29.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.469 0.707 . . . . 0.0 110.321 169.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -140.83 153.84 45.95 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.206 2.202 . . . . 0.0 109.392 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 172.22 15.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.067 -1.021 . . . . 0.0 111.07 173.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.23 -136.85 49.4 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 121.791 -0.568 . . . . 0.0 112.663 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -74.68 -21.45 59.4 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -64.52 -33.27 75.51 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.454 1.479 . . . . 0.0 112.057 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.98 -32.93 74.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.019 1.728 . . . . 0.0 112.313 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.56 -36.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.258 1.023 . . . . 0.0 111.081 170.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.33 -37.12 84.62 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.547 1.139 . . . . 0.0 112.734 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.18 93.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.262 -0.899 . . . . 0.0 111.987 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -38.77 92.26 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.944 0.898 . . . . 0.0 110.793 170.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.42 -33.01 74.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.443 1.097 . . . . 0.0 112.938 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.04 -25.74 43.19 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.733 -1.229 . . . . 0.0 113.015 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.6 t -81.01 -35.58 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.37 1.068 . . . . 0.0 112.526 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 m -145.04 -3.49 0.76 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -171.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.33 -15.33 58.84 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.474 -1.391 . . . . 0.0 114.998 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.71 -24.8 44.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.973 0.887 . . . . 0.0 112.299 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -85.77 -37.75 18.97 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.433 1.493 . . . . 0.0 111.533 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.05 145.04 16.99 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.793 1.663 . . . . 0.0 112.351 -170.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -158.44 167.43 29.67 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.481 1.512 . . . . 0.0 111.611 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -144.15 141.0 29.71 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.04 1.336 . . . . 0.0 109.425 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -117.79 -7.36 10.98 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 80.1 m -93.02 116.75 67.0 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-N 119.515 1.052 . . . . 0.0 110.689 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.32 -11.97 20.9 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.331 2.687 . . . . 0.0 114.292 -171.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -71.72 -12.85 61.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.877 1.671 . . . . 0.0 114.125 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 152.34 38.03 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 167.3 27.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.85 1.66 . . . . 0.0 112.593 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.695 1.598 . . . . 0.0 113.696 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt -37.46 -57.17 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 127.333 2.253 . . . . 0.0 115.143 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 m -65.95 -14.58 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -104.0 -36.01 7.9 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 111.958 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.88 -34.0 72.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.669 1.187 . . . . 0.0 113.637 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.5 t -96.76 -12.93 23.04 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.065 1.346 . . . . 0.0 113.221 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -92.79 -41.69 9.97 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 0.0 113.334 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.73 -17.91 24.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.88 1.272 . . . . 0.0 113.911 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -138.09 165.68 26.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.497 1.919 . . . . 0.0 111.096 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.5 pt -66.01 149.95 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.05 154.94 43.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.887 1.275 . . . . 0.0 113.649 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -135.16 171.09 14.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.978 2.111 . . . . 0.0 111.821 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.56 -34.22 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.665 -0.647 . . . . 0.0 112.71 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -71.35 -32.06 68.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.602 0.761 . . . . 0.0 112.181 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -74.25 -37.25 63.84 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.552 0.741 . . . . 0.0 111.715 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.37 -43.69 76.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.98 0.912 . . . . 0.0 112.313 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.26 -21.7 49.55 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.941 -1.099 . . . . 0.0 113.958 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -65.13 -24.45 67.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.252 1.021 . . . . 0.0 112.982 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.95 -13.38 41.96 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.0 m -91.47 154.61 19.02 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.321 1.449 . . . . 0.0 114.574 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 52.17 -157.18 0.14 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.764 2.425 . . . . 0.0 113.986 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.215 0 C-N-CA 125.17 1.367 . . . . 0.0 112.86 -177.596 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.17 148.92 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.064 0.945 . . . . 0.0 113.169 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -76.85 84.31 3.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.527 1.131 . . . . 0.0 109.659 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -134.05 127.69 32.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.962 1.305 . . . . 0.0 112.339 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -115.61 153.72 30.75 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.353 1.861 . . . . 0.0 109.732 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.8 mt -139.6 144.09 37.59 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.885 1.274 . . . . 0.0 110.592 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -143.12 162.71 34.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.884 0.874 . . . . 0.0 111.254 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -139.31 48.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 123.514 0.578 . . . . 0.0 112.785 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.7 p -67.83 -20.72 65.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.68 -36.95 83.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.782 1.174 . . . . 0.0 111.7 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.16 -45.26 92.69 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.752 1.221 . . . . 0.0 110.938 173.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.09 -41.81 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.035 0.934 . . . . 0.0 111.165 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -66.26 -42.09 88.98 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.045 0.938 . . . . 0.0 111.615 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.67 99.7 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.171 0.442 . . . . 0.0 111.75 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.41 -41.4 93.83 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.849 0.75 . . . . 0.0 111.915 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -48.74 80.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.896 1.279 . . . . 0.0 111.706 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.66 -32.65 60.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.179 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.61 -43.83 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.301 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -87.9 -25.04 23.44 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.19 45.16 20.63 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.057 0.837 . . . . 0.0 113.446 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 56.59 47.28 18.82 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.395 1.478 . . . . 0.0 113.052 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -106.02 17.08 24.13 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 126.585 1.954 . . . . 0.0 114.069 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.65 132.34 1.73 Allowed Glycine 0 N--CA 1.469 0.863 0 C-N-CA 126.276 1.893 . . . . 0.0 112.999 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.35 169.14 22.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.543 1.537 . . . . 0.0 111.317 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -141.67 144.19 33.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.105 0.962 . . . . 0.0 111.222 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -129.79 11.24 5.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.896 1.278 . . . . 0.0 113.886 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m 49.84 59.12 17.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.409 1.883 . . . . 0.0 114.851 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.66 -13.68 32.61 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 123.078 2.519 . . . . 0.0 114.109 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.74 -29.31 64.39 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.102 1.361 . . . . 0.0 113.639 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 77.0 p -91.45 163.43 14.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 112.928 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -118.0 153.95 32.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.879 1.672 . . . . 0.0 111.634 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 52.7 ptt85 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.138 1.775 . . . . 0.0 112.509 178.562 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -55.16 -44.43 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -61.95 -24.06 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -94.98 -47.95 6.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.01 0.924 . . . . 0.0 110.819 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.18 -33.77 76.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.42 -10.7 26.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -102.82 -32.18 9.93 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.927 0.785 . . . . 0.0 112.665 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -90.44 -14.6 32.53 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -144.13 166.93 23.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 111.034 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 pt -64.06 144.67 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.097 0.559 . . . . 0.0 112.386 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.54 153.57 39.06 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.961 1.304 . . . . 0.0 112.823 169.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -147.39 167.54 24.11 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.982 2.513 . . . . 0.0 108.674 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.74 -35.32 55.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -67.05 -22.88 65.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -84.71 -37.27 21.13 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.348 1.059 . . . . 0.0 111.892 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.67 -42.34 99.57 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.702 1.137 . . . . 0.0 111.498 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -16.81 60.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.745 1.218 . . . . 0.0 113.863 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -68.78 -24.15 64.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.385 -0.822 . . . . 0.0 112.681 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.77 -30.36 16.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.39 159.76 26.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 60.46 -34.58 0.08 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 130.334 3.454 . . . . 0.0 118.192 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.155 0 C-N-CA 125.944 1.735 . . . . 0.0 113.657 -177.164 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.5 t80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.486 0.184 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.3 m -69.09 153.6 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.904 0.881 . . . . 0.0 113.086 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -134.34 83.09 2.01 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.483 1.513 . . . . 0.0 108.553 170.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -144.51 163.92 32.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.873 1.269 . . . . 0.0 112.306 -169.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -82.21 143.85 31.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 168.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.33 151.58 51.79 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.073 1.749 . . . . 0.0 109.463 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 169.59 18.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 110.334 171.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.88 -133.29 52.76 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 121.598 -0.688 . . . . 0.0 113.098 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -73.79 -24.36 59.82 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -67.89 -32.4 72.86 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.72 1.6 . . . . 0.0 112.552 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.26 -34.76 78.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.42 1.088 . . . . 0.0 111.664 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.62 -39.28 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.88 1.272 . . . . 0.0 110.986 170.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -62.23 -37.38 85.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.397 1.479 . . . . 0.0 112.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.88 90.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.111 0.869 . . . . 0.0 111.843 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.77 -33.79 75.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.18 0.992 . . . . 0.0 111.74 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.29 -42.93 82.93 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.337 1.055 . . . . 0.0 111.887 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.97 -28.59 57.94 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.837 -1.164 . . . . 0.0 112.879 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.81 -31.15 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.573 1.149 . . . . 0.0 112.213 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.3 m -144.57 2.74 1.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -169.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.93 -19.52 37.52 Favored Glycine 0 N--CA 1.48 1.6 0 CA-C-N 120.07 1.305 . . . . 0.0 116.115 -174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -103.86 -8.54 19.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.396 1.479 . . . . 0.0 113.707 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -105.58 -11.63 16.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.25 2.62 . . . . 0.0 113.298 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.54 121.44 4.9 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.356 1.931 . . . . 0.0 113.044 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.92 -40.22 94.72 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 t80 61.17 -32.58 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.886 2.474 . . . . 0.0 114.87 -166.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.19 113.39 0.79 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.722 1.609 . . . . 0.0 114.316 -172.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -117.77 141.82 29.69 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 126.093 1.757 . . . . 0.0 111.092 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.65 152.32 69.86 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.927 2.418 . . . . 0.0 112.763 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -76.52 175.29 9.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.413 1.485 . . . . 0.0 112.955 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 80.9 p -73.49 178.67 4.49 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.056 1.742 . . . . 0.0 111.823 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -70.36 2.69 3.57 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 126.178 1.791 . . . . 0.0 112.606 179.02 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.35 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.422 1.889 . . . . 0.0 114.856 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.53 -28.51 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.82 -29.65 64.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -166.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -61.21 -36.99 81.41 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.782 1.174 . . . . 0.0 111.832 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.06 -20.67 18.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.631 1.173 . . . . 0.0 113.129 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -86.0 -28.32 24.27 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.345 -0.847 . . . . 0.0 112.518 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -106.13 -11.24 16.16 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -146.39 179.53 7.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.688 1.595 . . . . 0.0 111.401 173.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 pt -74.07 -24.45 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p 47.96 -167.21 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.549 2.74 . . . . 0.0 115.219 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -151.03 164.26 36.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.052 0.941 . . . . 0.0 112.377 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.61 -29.94 62.69 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.648 0.779 . . . . 0.0 112.822 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -64.89 -25.29 67.82 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.488 0.715 . . . . 0.0 112.893 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -84.08 -31.28 25.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.37 1.068 . . . . 0.0 112.019 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.44 -39.65 85.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.987 0.515 . . . . 0.0 111.007 169.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.48 -20.95 66.51 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.853 -1.154 . . . . 0.0 113.263 173.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -73.99 -28.94 61.7 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.05 0.841 . . . . 0.0 112.756 171.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.89 -26.14 43.88 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.862 0.865 . . . . 0.0 112.766 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.9 t -71.34 155.92 40.11 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.385 1.474 . . . . 0.0 112.316 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.88 136.74 56.53 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.451 1.1 . . . . 0.0 112.516 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 C-N-CA 125.542 1.544 . . . . 0.0 113.242 177.631 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.17 -4.63 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . 0.251 0.9 OUTLIER 47.67 36.75 5.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.074 2.55 . . . . 0.0 115.087 174.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -148.32 159.29 44.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.986 0.914 . . . . 0.0 112.46 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.75 139.64 57.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.727 0.811 . . . . 0.0 112.584 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.09 134.95 30.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.69 1.996 . . . . 0.0 110.079 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -141.73 151.97 43.41 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.327 1.051 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.91 -135.54 48.98 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 123.413 0.53 . . . . 0.0 113.51 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -59.32 -26.45 65.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -68.39 -36.25 78.87 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.125 -0.984 . . . . 0.0 111.647 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 tp -73.41 -37.35 65.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.365 0.666 . . . . 0.0 111.49 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.92 -39.91 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.065 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -42.81 99.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.775 1.171 . . . . 0.0 112.32 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.06 81.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.628 -0.67 . . . . 0.0 112.196 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.85 -40.56 80.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.55 1.14 . . . . 0.0 111.95 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.28 -43.03 99.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.476 1.11 . . . . 0.0 111.558 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.7 mt -74.62 -36.48 62.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.712 1.205 . . . . 0.0 112.812 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.33 -39.82 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.974 0.806 . . . . 0.0 111.717 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 t -78.56 -29.78 46.5 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.0 113.234 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.69 44.48 81.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.775 0.702 . . . . 0.0 113.496 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.78 16.82 9.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -74.25 -7.69 53.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.448 1.499 . . . . 0.0 114.24 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.84 145.4 8.27 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.486 1.517 . . . . 0.0 113.089 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -146.28 162.93 37.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.44 1.096 . . . . 0.0 113.406 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.77 -25.33 60.1 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -170.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -29.54 121.39 0.15 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.8 t -130.71 141.66 42.74 Favored Pre-proline 0 N--CA 1.471 0.605 0 C-N-CA 126.177 1.791 . . . . 0.0 110.933 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -7.99 20.04 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.526 2.817 . . . . 0.0 114.583 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -138.37 139.81 39.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.299 1.44 . . . . 0.0 111.806 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.0 p -88.36 161.51 17.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.518 1.527 . . . . 0.0 112.597 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.65 -32.72 70.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.208 1.003 . . . . 0.0 113.35 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.683 1.993 . . . . 0.0 111.228 178.744 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp -35.83 -56.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 127.502 2.321 . . . . 0.0 114.446 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 -1.06 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -170.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.46 -28.08 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.098 -1.001 . . . . 0.0 112.29 169.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -61.8 -32.35 72.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.596 1.158 . . . . 0.0 112.633 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.01 -20.0 15.58 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -98.07 -49.93 4.57 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -96.57 -29.52 13.81 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.708 0.686 . . . . 0.0 112.34 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -99.92 170.24 8.65 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.058 1.343 . . . . 0.0 111.047 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.87 139.59 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 110.05 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.1 177.38 7.91 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -142.47 170.36 15.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.219 1.408 . . . . 0.0 112.222 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.93 -39.81 66.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.471 1.508 . . . . 0.0 111.52 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -67.1 -20.39 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.927 1.291 . . . . 0.0 113.657 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -88.29 -36.57 16.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.367 1.067 . . . . 0.0 111.245 170.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.3 -31.08 71.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.449 0.699 . . . . 0.0 112.514 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.62 -24.68 64.02 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -69.76 -18.25 63.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.112 0.965 . . . . 0.0 112.803 -178.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.1 -6.48 24.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.714 1.206 . . . . 0.0 113.419 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.4 156.55 25.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.43 1.092 . . . . 0.0 112.596 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -65.04 152.1 44.33 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.435 1.494 . . . . 0.0 111.948 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-O 118.028 -1.429 . . . . 0.0 112.563 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.4 m -71.64 -19.45 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 43.02 54.04 4.95 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.143 2.577 . . . . 0.0 112.871 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -123.98 146.35 48.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.15 1.38 . . . . 0.0 113.831 -167.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -102.74 136.36 42.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.034 1.334 . . . . 0.0 109.857 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -150.53 131.75 14.5 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.82 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.9 m -136.89 165.64 25.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.712 1.205 . . . . 0.0 112.075 -169.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.58 -140.43 45.66 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.108 0.861 . . . . 0.0 114.376 169.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -66.5 -24.08 66.35 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -64.39 -38.83 92.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.86 0.755 . . . . 0.0 111.192 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.48 -41.7 88.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.328 1.051 . . . . 0.0 111.817 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -61.79 -44.94 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.262 0.625 . . . . 0.0 110.882 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.71 -42.35 99.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.814 0.846 . . . . 0.0 112.31 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.89 95.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.18 -0.95 . . . . 0.0 112.163 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.3 98.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.681 0.792 . . . . 0.0 111.073 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.04 -48.09 79.37 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.727 1.611 . . . . 0.0 111.517 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.13 -31.97 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.043 0.937 . . . . 0.0 113.019 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.74 -42.76 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.393 174.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 60.4 m -75.1 -33.29 61.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.46 53.96 11.73 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.685 0.675 . . . . 0.0 113.709 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 58.89 41.69 20.88 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.35 1.46 . . . . 0.0 114.005 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -108.35 -3.45 18.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.404 1.882 . . . . 0.0 114.387 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 149.3 9.61 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.275 1.417 . . . . 0.0 112.509 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -163.98 168.88 18.76 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.856 1.262 . . . . 0.0 112.651 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -113.91 140.65 48.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.295 1.438 . . . . 0.0 111.222 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -136.52 18.89 3.11 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.6 m 53.65 67.56 3.53 Favored Pre-proline 0 N--CA 1.481 1.077 0 C-N-CA 125.56 1.544 . . . . 0.0 112.787 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.46 -15.18 19.89 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.799 2.999 . . . . 0.0 114.543 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.86 161.12 41.93 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -171.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 65.93 0.13 1.49 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 126.917 2.087 . . . . 0.0 116.503 169.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -154.38 148.81 26.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.968 1.707 . . . . 0.0 110.605 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 127.398 2.279 . . . . 0.0 113.047 -173.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.477 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.15 -54.45 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.497 1.919 . . . . 0.0 113.411 -173.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -83.26 -33.62 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.021 0.928 . . . . 0.0 111.85 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.83 -32.85 73.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.306 1.442 . . . . 0.0 112.806 -175.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -58.27 -23.21 55.44 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.782 1.233 . . . . 0.0 113.571 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -18.86 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 172.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.5 t -82.73 -20.39 36.08 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.253 0.933 . . . . 0.0 113.334 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -133.5 -40.18 0.89 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.197 0.999 . . . . 0.0 111.489 169.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -82.93 178.11 8.32 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.21 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 pt -102.63 148.5 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.763 1.225 . . . . 0.0 111.629 174.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -134.6 160.81 36.92 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -133.3 170.75 14.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.933 2.093 . . . . 0.0 110.328 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -52.54 -33.16 44.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -68.11 -22.64 64.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.872 0.869 . . . . 0.0 112.849 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -79.71 -42.89 23.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.95 0.9 . . . . 0.0 111.011 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.02 -40.75 96.76 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.959 0.8 . . . . 0.0 111.965 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.37 -13.8 15.16 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -73.47 -21.67 60.38 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.056 -1.028 . . . . 0.0 113.115 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.39 -3.37 33.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -171.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -118.13 168.45 10.56 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -175.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -64.5 164.05 12.32 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.261 2.224 . . . . 0.0 112.867 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.256 0 C-N-CA 125.78 1.657 . . . . 0.0 112.514 172.352 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.597 0.237 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.52 164.47 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.624 1.169 . . . . 0.0 112.537 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.69 37.02 2.65 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.565 1.146 . . . . 0.0 111.006 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -90.16 153.92 20.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.303 1.441 . . . . 0.0 113.053 -172.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -124.78 156.12 38.26 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.327 1.451 . . . . 0.0 112.336 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -154.12 146.11 23.59 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.434 2.294 . . . . 0.0 109.895 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.82 160.23 42.98 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.633 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -132.31 46.02 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.022 0.82 . . . . 0.0 113.469 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -63.32 -23.21 67.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -70.93 -37.85 72.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.659 1.118 . . . . 0.0 111.59 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.4 -38.92 71.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.247 1.019 . . . . 0.0 111.418 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.41 -45.57 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.798 0.839 . . . . 0.0 111.295 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.64 -40.92 98.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.35 0.977 . . . . 0.0 112.016 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.0 96.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.672 -0.643 . . . . 0.0 111.874 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.73 -41.5 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.845 0.858 . . . . 0.0 112.296 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.73 -47.43 86.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.481 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.98 -31.9 30.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.426 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -65.26 -46.4 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.015 0.825 . . . . 0.0 110.644 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.89 -24.35 28.53 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.51 53.38 4.38 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.702 1.144 . . . . 0.0 112.764 173.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 59.58 31.96 21.29 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.279 1.432 . . . . 0.0 113.87 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -71.46 -20.05 62.14 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.951 1.3 . . . . 0.0 114.462 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.84 135.12 7.87 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.881 1.705 . . . . 0.0 110.362 -167.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -157.46 168.26 27.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.927 0.891 . . . . 0.0 113.015 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -122.02 135.5 54.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.342 1.457 . . . . 0.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -134.04 -0.95 3.01 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.6 m -85.63 125.16 70.03 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 121.116 -0.99 . . . . 0.0 111.026 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.42 153.22 50.07 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.966 2.444 . . . . 0.0 112.733 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.78 50.24 1.32 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.616 1.566 . . . . 0.0 112.115 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -81.58 162.01 23.3 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.594 1.558 . . . . 0.0 112.989 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.95 -174.81 0.08 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.024 2.129 . . . . 0.0 114.301 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 . . . . . 0 C--O 1.251 1.138 0 C-N-CA 126.969 2.108 . . . . 0.0 111.47 -177.096 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.71 -31.13 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.289 1.045 . . . . 0.0 112.878 -173.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.06 -28.61 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 120.976 -1.077 . . . . 0.0 112.14 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.51 -34.3 63.01 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.55 -0.719 . . . . 0.0 111.601 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.92 -44.13 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.04 0.836 . . . . 0.0 113.11 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -82.01 -20.84 37.6 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -76.0 -37.6 58.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.718 0.807 . . . . 0.0 111.69 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -101.03 -14.27 17.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.484 1.514 . . . . 0.0 114.307 -174.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.61 177.39 8.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.783 1.633 . . . . 0.0 111.939 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.78 145.37 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.219 1.007 . . . . 0.0 112.755 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -142.92 167.45 22.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 113.564 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -136.81 177.94 7.46 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.521 1.928 . . . . 0.0 112.026 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.76 -29.6 28.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 170.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -73.89 -29.91 62.33 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.357 -0.84 . . . . 0.0 112.422 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -81.05 -26.1 36.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.553 0.741 . . . . 0.0 112.585 169.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.99 -38.28 75.97 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.963 -1.085 . . . . 0.0 111.169 169.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -67.88 -12.03 59.86 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 119.867 -1.771 . . . . 0.0 113.705 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.94 -24.25 60.78 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.911 -1.118 . . . . 0.0 112.813 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.58 -20.58 31.25 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.086 -1.009 . . . . 0.0 112.866 169.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.7 t -83.83 154.66 23.36 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.891 1.676 . . . . 0.0 113.636 -171.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -68.74 140.3 55.36 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.497 1.919 . . . . 0.0 112.069 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.307 0 CA-C-O 118.054 -1.414 . . . . 0.0 112.956 -179.182 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.86 148.59 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.924 0.89 . . . . 0.0 113.147 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -82.37 61.6 5.64 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.078 1.351 . . . . 0.0 110.859 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -107.3 134.95 49.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 113.804 -168.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.16 142.26 27.69 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.329 1.451 . . . . 0.0 108.698 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.68 128.68 13.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.122 0.969 . . . . 0.0 110.876 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -136.79 165.01 26.93 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.736 0.815 . . . . 0.0 112.742 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.94 -138.22 49.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.211 0.91 . . . . 0.0 114.322 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.2 p -66.52 -22.05 66.17 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -69.28 -39.77 78.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.371 0.987 . . . . 0.0 111.213 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.34 -47.18 87.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.445 1.098 . . . . 0.0 110.613 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.44 -37.38 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.317 0.647 . . . . 0.0 112.189 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.79 -45.96 69.95 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.525 1.057 . . . . 0.0 111.998 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.48 99.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.686 -0.634 . . . . 0.0 111.749 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.33 -41.09 88.31 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.661 1.184 . . . . 0.0 111.835 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -44.64 96.89 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.449 1.022 . . . . 0.0 111.413 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.16 -35.24 68.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.54 1.136 . . . . 0.0 112.941 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.98 -38.58 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.29 1.036 . . . . 0.0 111.756 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.59 -27.5 55.82 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.423 -0.798 . . . . 0.0 112.59 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.7 42.15 99.71 Favored Glycine 0 CA--C 1.534 1.221 0 O-C-N 121.476 -0.765 . . . . 0.0 112.664 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.354 10.8 pt-20 53.69 26.34 5.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.429 2.291 . . . . 0.0 116.947 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -64.82 -16.66 63.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.627 1.171 . . . . 0.0 112.798 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.19 138.06 9.65 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.602 2.049 . . . . 0.0 112.003 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -150.9 158.28 43.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.098 0.959 . . . . 0.0 112.928 -174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -86.57 134.32 33.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.251 1.02 . . . . 0.0 111.119 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -142.7 137.38 29.83 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.334 1.054 . . . . 0.0 110.647 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -147.13 44.1 0.37 Allowed Pre-proline 0 N--CA 1.48 1.031 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.04 -16.91 40.97 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 123.522 2.815 . . . . 0.0 114.724 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.22 135.19 41.03 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.211 1.404 . . . . 0.0 110.451 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -61.94 -40.86 96.98 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.149 1.38 . . . . 0.0 113.492 -170.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.56 -137.63 0.91 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.938 1.695 . . . . 0.0 112.302 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.895 2.078 . . . . 0.0 112.059 177.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 CA-C-O 119.427 -0.652 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.307 9.6 tp 56.17 -46.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 1 C-N-CA 131.889 4.076 . . . . 0.0 117.758 171.254 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.32 -24.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.62 -36.43 51.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.768 0.713 . . . . 0.0 112.702 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.8 -44.04 97.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.233 1.013 . . . . 0.0 112.067 -171.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -82.43 -14.59 54.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.238 1.015 . . . . 0.0 113.683 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -86.37 -37.02 18.84 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.552 0.741 . . . . 0.0 111.783 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -92.45 -18.6 23.01 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.421 1.488 . . . . 0.0 114.449 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -142.44 179.46 6.93 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.389 1.876 . . . . 0.0 111.296 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -75.84 152.52 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.207 -0.933 . . . . 0.0 112.058 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 m -133.61 128.19 34.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -95.43 167.41 11.34 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.83 1.652 . . . . 0.0 110.614 168.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -54.87 -31.15 59.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -69.33 -28.5 66.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.491 -0.755 . . . . 0.0 113.026 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.89 -30.72 56.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.437 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.33 -38.15 42.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.939 0.896 . . . . 0.0 112.109 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.3 -22.86 66.37 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.305 -1.497 . . . . 0.0 113.394 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.4 -34.46 77.79 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.324 -0.86 . . . . 0.0 112.255 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.48 -36.66 44.88 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.075 0.95 . . . . 0.0 111.648 171.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.95 -36.99 83.05 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.209 0.603 . . . . 0.0 112.283 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -89.02 12.99 13.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.298 1.439 . . . . 0.0 113.772 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 C-N-CA 125.481 1.515 . . . . 0.0 113.915 -179.685 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.428 0.156 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.5 m -73.5 152.16 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.603 1.161 . . . . 0.0 113.162 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -120.26 86.97 2.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.082 1.353 . . . . 0.0 109.041 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -141.32 157.27 45.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.548 1.139 . . . . 0.0 113.528 -170.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -87.04 148.18 25.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.35 1.06 . . . . 0.0 109.985 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.3 mt -142.68 141.17 31.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.89 1.676 . . . . 0.0 110.08 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.58 156.96 46.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.08 0.952 . . . . 0.0 111.162 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -141.44 48.08 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 121.953 -0.467 . . . . 0.0 112.675 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -65.66 -25.41 67.33 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.59 -0.947 . . . . 0.0 113.469 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -68.42 -29.4 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.432 1.015 . . . . 0.0 112.678 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 tp -68.4 -37.58 80.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.2 0.6 . . . . 0.0 111.315 170.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.96 -42.07 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.143 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.98 -44.14 97.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.655 1.182 . . . . 0.0 112.245 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.36 86.39 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.395 -0.816 . . . . 0.0 112.493 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.68 -38.96 89.74 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.498 0.719 . . . . 0.0 111.58 172.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.88 -44.92 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.574 1.15 . . . . 0.0 111.833 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.21 -36.61 79.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.27 1.028 . . . . 0.0 112.749 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.24 -40.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.801 0.84 . . . . 0.0 111.432 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.12 -30.57 71.09 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.286 -0.884 . . . . 0.0 112.803 172.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.36 76.88 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 120.143 1.338 . . . . 0.0 112.656 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.261 14.4 tt0 60.97 27.57 17.43 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.628 1.971 . . . . 0.0 115.314 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -63.66 -17.53 63.03 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.624 -1.298 . . . . 0.0 113.535 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.69 130.18 5.89 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.89 1.71 . . . . 0.0 113.087 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -153.85 151.62 29.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.274 1.829 . . . . 0.0 110.217 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.9 -28.31 68.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.581 -1.325 . . . . 0.0 114.153 -169.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.28 1.2 9.93 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 173.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.9 m -52.6 121.06 20.22 Favored Pre-proline 0 N--CA 1.479 1.007 0 C-N-CA 124.312 1.045 . . . . 0.0 111.239 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -67.4 -21.74 46.59 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.685 2.257 . . . . 0.0 115.522 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.79 145.18 28.83 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.843 1.657 . . . . 0.0 110.683 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 82.8 p -137.82 156.02 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.521 174.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -100.98 42.96 1.08 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.568 1.547 . . . . 0.0 112.61 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.186 1.794 . . . . 0.0 112.709 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -49.93 -54.46 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.788 1.635 . . . . 0.0 114.82 -173.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.26 -30.72 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 123.404 0.682 . . . . 0.0 111.88 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.58 -43.49 69.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.97 1.308 . . . . 0.0 111.886 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.11 -11.39 60.73 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -170.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.58 -5.06 13.42 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.907 1.283 . . . . 0.0 113.992 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -102.23 -36.65 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.834 1.254 . . . . 0.0 112.993 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -83.56 -18.13 39.39 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.598 1.159 . . . . 0.0 113.254 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -136.48 164.64 27.69 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.37 2.268 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.4 pt -59.89 152.81 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.524 0.73 . . . . 0.0 112.139 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 t -123.97 144.03 50.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.205 1.002 . . . . 0.0 113.567 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -156.55 173.35 17.05 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.138 0.975 . . . . 0.0 113.509 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.05 -37.41 66.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.874 1.67 . . . . 0.0 112.032 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -64.99 -29.57 70.5 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -80.27 -36.43 34.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.303 1.041 . . . . 0.0 111.136 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.24 -40.16 62.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.816 0.846 . . . . 0.0 112.368 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.72 -29.69 70.86 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.772 -1.205 . . . . 0.0 112.594 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -62.94 -37.3 86.51 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.534 -0.729 . . . . 0.0 111.221 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -74.2 -30.4 62.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.1 m -66.66 -35.07 79.28 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -81.74 -39.54 24.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.218 1.007 . . . . 0.0 112.816 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 C-N-CA 125.581 1.562 . . . . 0.0 114.244 178.827 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 118.976 -0.535 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.309 11.0 m 53.63 177.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.453 2.301 . . . . 0.0 114.52 -168.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -82.13 67.97 8.35 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.461 1.104 . . . . 0.0 111.983 -170.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -133.31 151.01 51.86 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.255 1.422 . . . . 0.0 112.392 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -105.27 159.73 15.65 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.773 1.629 . . . . 0.0 110.452 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -133.97 141.63 47.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.194 1.398 . . . . 0.0 110.68 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.71 159.54 42.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.759 0.823 . . . . 0.0 111.438 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.3 -138.71 39.38 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.848 0.737 . . . . 0.0 113.318 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -64.32 -20.26 65.97 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -68.67 -38.94 80.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.856 1.207 . . . . 0.0 111.52 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.51 -43.32 85.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.33 1.052 . . . . 0.0 110.746 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.408 0.683 . . . . 0.0 111.31 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.85 -43.24 84.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.189 0.904 . . . . 0.0 112.018 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.49 98.77 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.786 -0.572 . . . . 0.0 111.666 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.91 -42.23 97.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.899 0.88 . . . . 0.0 111.944 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.09 -43.89 91.86 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.434 1.094 . . . . 0.0 111.748 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.59 -34.26 71.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.303 1.041 . . . . 0.0 112.805 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.48 -39.47 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.868 0.867 . . . . 0.0 111.863 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.57 -23.9 58.83 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.25 0.62 . . . . 0.0 112.64 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.94 36.17 91.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.05 0.833 . . . . 0.0 113.664 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 60.31 21.05 10.54 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.053 1.741 . . . . 0.0 114.705 -174.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.25 -7.02 47.08 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.715 -1.241 . . . . 0.0 114.308 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.09 131.33 6.69 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.159 1.837 . . . . 0.0 113.106 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -155.77 172.91 17.53 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.679 1.992 . . . . 0.0 110.456 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -138.51 144.66 40.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.2 1.0 . . . . 0.0 111.658 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -136.15 11.34 3.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m 53.93 62.37 9.04 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 126.266 1.826 . . . . 0.0 113.841 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -61.88 143.99 96.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.943 2.429 . . . . 0.0 111.719 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -131.0 7.59 4.7 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.619 1.568 . . . . 0.0 114.518 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -75.04 158.21 33.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.334 1.454 . . . . 0.0 112.501 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.27 154.31 21.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.597 1.159 . . . . 0.0 111.269 175.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 126.432 1.893 . . . . 0.0 111.515 -179.281 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -50.37 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 126.845 2.058 . . . . 0.0 114.471 -173.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.85 -25.07 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.946 0.899 . . . . 0.0 113.094 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.96 -41.77 18.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.43 0.692 . . . . 0.0 111.406 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -55.06 -47.44 74.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.841 0.857 . . . . 0.0 113.197 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -88.37 -7.12 57.18 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.69 -37.11 13.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.842 0.857 . . . . 0.0 111.996 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -89.0 -20.48 24.36 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.04 174.24 10.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.562 1.545 . . . . 0.0 112.606 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.83 138.84 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.645 1.578 . . . . 0.0 113.018 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m -139.28 156.5 47.01 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -153.38 -175.94 5.57 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.531 1.932 . . . . 0.0 109.932 169.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -45.73 -42.6 12.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.486 1.915 . . . . 0.0 113.544 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -65.8 -23.1 66.63 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -94.57 -31.47 13.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.398 1.079 . . . . 0.0 112.402 170.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.69 -40.3 72.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.599 0.76 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.9 -26.33 62.03 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.13 -0.982 . . . . 0.0 112.967 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.83 -29.93 67.27 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.539 1.136 . . . . 0.0 112.744 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -82.07 -14.49 55.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.795 0.838 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -100.44 -19.75 16.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.174 0.99 . . . . 0.0 113.338 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.45 139.1 57.87 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.829 1.252 . . . . 0.0 112.756 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 C-N-CA 125.766 1.65 . . . . 0.0 114.596 -179.59 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.489 0.185 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.56 151.37 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.498 1.119 . . . . 0.0 112.583 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -97.48 14.05 27.76 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -86.76 142.2 28.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.697 1.199 . . . . 0.0 113.506 -169.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -117.57 152.0 36.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.332 1.853 . . . . 0.0 109.849 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.2 mt -139.34 142.87 37.61 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.361 1.464 . . . . 0.0 110.264 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.31 155.63 46.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.864 0.866 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.97 -139.16 49.0 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 123.599 0.619 . . . . 0.0 112.715 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -64.71 -26.06 68.21 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -69.93 -28.71 65.8 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.497 1.044 . . . . 0.0 112.875 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.3 tp -71.41 -36.24 71.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.621 0.768 . . . . 0.0 111.329 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.63 -46.79 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.441 0.696 . . . . 0.0 110.74 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.45 -41.7 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.179 1.392 . . . . 0.0 112.422 176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.74 89.53 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.56 -0.713 . . . . 0.0 111.949 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.98 -41.46 99.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.832 0.853 . . . . 0.0 112.337 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -60.35 -42.57 96.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.929 1.692 . . . . 0.0 111.919 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.53 -32.73 48.13 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.443 1.097 . . . . 0.0 113.302 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.29 -46.03 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 111.509 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -19.59 36.61 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.96 57.62 4.01 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.688 1.137 . . . . 0.0 112.702 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 61.76 18.42 9.66 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.556 1.542 . . . . 0.0 114.364 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.31 59.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 135.8 2.22 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.392 1.472 . . . . 0.0 111.82 -169.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.21 155.84 49.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.438 1.495 . . . . 0.0 112.221 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -104.06 59.87 0.73 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.074 1.75 . . . . 0.0 111.835 -169.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -69.61 -29.91 67.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.453 0.701 . . . . 0.0 112.499 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -61.81 134.22 93.97 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 124.635 1.174 . . . . 0.0 111.028 173.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -59.27 126.65 21.47 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.942 2.428 . . . . 0.0 113.181 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.72 161.78 38.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.731 2.012 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -144.04 155.69 44.09 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.139 1.376 . . . . 0.0 111.938 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -114.27 4.36 15.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.248 1.819 . . . . 0.0 113.164 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.559 1.543 . . . . 0.0 112.38 -179.736 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.455 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -158.27 -46.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.693 1.197 . . . . 0.0 111.607 168.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.46 -45.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.87 -44.68 96.33 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.161 0.891 . . . . 0.0 112.051 -172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -57.46 -32.54 67.05 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.153 0.981 . . . . 0.0 112.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -90.92 -8.57 48.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 114.458 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -97.8 -42.63 7.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 111.843 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -82.42 -21.97 35.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.122 0.969 . . . . 0.0 113.181 178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -143.4 179.49 7.07 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.164 1.786 . . . . 0.0 110.731 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 pt -80.66 149.09 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.885 1.274 . . . . 0.0 112.411 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.14 126.69 26.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.509 1.123 . . . . 0.0 112.136 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -70.57 161.01 31.44 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.062 0.945 . . . . 0.0 111.351 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.68 -32.95 63.69 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.667 0.787 . . . . 0.0 111.052 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -64.91 -30.06 71.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.283 1.033 . . . . 0.0 113.062 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -77.02 -36.33 56.36 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.204 1.002 . . . . 0.0 110.97 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.11 -33.11 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.988 0.515 . . . . 0.0 112.255 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.87 -30.31 70.78 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.707 -1.246 . . . . 0.0 112.862 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.6 -24.52 66.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.181 -0.95 . . . . 0.0 111.853 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -89.02 -23.34 22.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.573 1.149 . . . . 0.0 112.696 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.52 -34.16 77.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.907 0.776 . . . . 0.0 111.551 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -71.28 151.28 44.39 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.388 1.075 . . . . 0.0 111.212 171.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 CA-C-O 118.195 -1.336 . . . . 0.0 113.152 -175.339 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 p90 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.63 -13.64 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 125.088 1.355 . . . . 0.0 113.037 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 53.06 53.25 12.27 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.964 2.506 . . . . 0.0 112.393 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -108.14 146.44 32.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.531 1.532 . . . . 0.0 112.263 -174.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -125.44 143.73 50.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.247 1.819 . . . . 0.0 110.219 172.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -140.54 150.87 44.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.314 1.446 . . . . 0.0 110.851 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.8 m -127.63 155.47 43.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.355 1.062 . . . . 0.0 111.681 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.98 46.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.918 0.771 . . . . 0.0 113.763 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -63.36 -23.39 67.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -65.11 -40.09 94.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.317 0.962 . . . . 0.0 111.377 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.74 -42.34 82.0 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.377 0.671 . . . . 0.0 111.367 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.87 -39.86 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.905 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.17 -40.94 90.87 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.064 0.847 . . . . 0.0 112.661 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.28 99.73 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.132 0.878 . . . . 0.0 112.027 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.6 -44.68 89.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 110.479 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.86 -46.43 87.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.215 1.406 . . . . 0.0 112.097 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.89 -30.7 70.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.569 1.147 . . . . 0.0 112.583 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.56 -42.15 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.147 0.979 . . . . 0.0 111.655 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 40.0 m -68.26 -33.79 75.02 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 0.958 . . . . 0.0 112.659 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.42 50.59 31.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.252 0.929 . . . . 0.0 113.244 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 64.53 11.11 6.36 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -21.0 64.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 138.68 6.33 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.782 1.658 . . . . 0.0 113.445 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -162.96 174.57 12.17 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.555 1.942 . . . . 0.0 110.973 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -147.51 144.6 28.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 0.0 110.554 167.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -88.49 25.75 1.62 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.953 1.701 . . . . 0.0 114.436 -171.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -63.34 146.14 96.47 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.329 1.052 . . . . 0.0 111.179 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.74 -20.03 33.39 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.516 2.811 . . . . 0.0 115.502 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . 0.292 11.7 ptpt 46.74 -158.68 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.078 2.551 . . . . 0.0 114.473 175.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.25 69.1 p 46.09 -86.3 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 128.752 2.821 . . . . 0.0 114.791 -172.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -132.0 130.09 40.96 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.499 1.92 . . . . 0.0 109.987 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.141 1.776 . . . . 0.0 111.811 -175.447 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -52.18 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.511 1.925 . . . . 0.0 114.982 -169.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.45 -29.53 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.85 -35.47 19.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.676 -0.678 . . . . 0.0 112.799 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -66.31 -38.93 88.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.175 1.352 . . . . 0.0 113.342 -171.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 m -80.89 -19.47 44.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.278 1.031 . . . . 0.0 113.445 173.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.58 -34.65 23.14 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.392 0.677 . . . . 0.0 112.428 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -97.17 -14.7 21.29 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.812 1.645 . . . . 0.0 114.001 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -144.0 -177.05 5.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.414 1.486 . . . . 0.0 111.821 171.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 pt -67.04 139.89 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.829 0.823 . . . . 0.0 112.13 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 t -101.5 160.78 14.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.998 1.319 . . . . 0.0 111.264 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.84 161.6 38.36 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.142 -0.974 . . . . 0.0 112.269 171.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.45 -33.82 55.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.172 1.389 . . . . 0.0 111.999 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -64.8 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 112.956 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -75.08 -38.63 61.22 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.446 0.698 . . . . 0.0 110.909 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.32 -43.16 98.57 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.718 0.69 . . . . 0.0 111.347 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.98 -33.43 74.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.777 -1.202 . . . . 0.0 112.227 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.41 -29.7 70.42 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.287 -0.883 . . . . 0.0 113.034 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.33 -18.71 51.97 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.861 0.864 . . . . 0.0 113.294 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.8 t -88.91 -31.68 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.586 1.155 . . . . 0.0 112.46 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.79 144.34 56.62 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.738 1.215 . . . . 0.0 112.498 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 C-N-CA 125.199 1.381 . . . . 0.0 113.275 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER 50.92 18.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 126.914 2.086 . . . . 0.0 115.032 177.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 45.09 33.72 1.15 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.84 2.056 . . . . 0.0 114.113 -170.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -111.18 153.89 25.14 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -87.92 159.67 18.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.362 1.465 . . . . 0.0 109.982 169.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.6 mt -139.98 130.77 25.92 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.013 1.725 . . . . 0.0 109.93 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -139.51 157.59 45.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 111.613 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.2 -137.29 49.54 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.695 0.664 . . . . 0.0 113.028 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -65.1 -21.13 66.76 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -67.5 -37.41 82.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.966 1.257 . . . . 0.0 111.775 174.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.28 -39.4 78.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.289 1.036 . . . . 0.0 111.122 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.96 -41.1 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.496 0.718 . . . . 0.0 111.393 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.05 -41.31 95.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.928 0.891 . . . . 0.0 111.854 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.87 99.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.445 -0.785 . . . . 0.0 112.0 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.84 -40.82 96.65 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.657 0.783 . . . . 0.0 112.011 174.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -43.54 98.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 111.539 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.51 -31.09 68.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.803 0.841 . . . . 0.0 112.936 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -77.9 -34.92 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.141 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -5.85 13.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.988 1.267 . . . . 0.0 114.413 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.27 -66.45 0.73 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.426 2.441 . . . . 0.0 114.673 171.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -149.4 -3.26 0.42 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.429 1.892 . . . . 0.0 113.657 -169.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.93 -24.24 67.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.209 1.404 . . . . 0.0 114.751 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.73 136.24 3.43 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.806 1.193 . . . . 0.0 111.004 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -156.91 159.19 37.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.203 1.001 . . . . 0.0 112.957 -168.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -87.41 63.74 7.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.061 1.344 . . . . 0.0 112.487 -173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -70.35 -30.47 67.42 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -92.85 132.08 32.02 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.057 0.943 . . . . 0.0 108.77 169.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -54.17 144.43 58.96 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.336 2.691 . . . . 0.0 113.904 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.44 -18.15 62.34 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.976 0.91 . . . . 0.0 113.294 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 44.0 p -83.52 -22.49 32.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.868 1.667 . . . . 0.0 113.962 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 52.41 28.37 5.77 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.323 1.849 . . . . 0.0 113.419 -170.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.721 1.608 . . . . 0.0 112.237 -178.943 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 CA-C-O 119.38 -0.678 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.301 9.0 tp 51.1 -49.97 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 1 C-N-CA 132.085 4.154 . . . . 0.0 117.745 177.269 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -116.46 -23.38 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.887 1.675 . . . . 0.0 113.527 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.91 -43.12 96.88 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.685 -0.635 . . . . 0.0 112.489 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -62.66 -30.99 71.79 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -94.23 -10.47 32.88 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.64 -38.68 9.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.823 1.249 . . . . 0.0 112.181 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.4 -19.51 26.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.805 1.242 . . . . 0.0 113.563 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -143.82 -177.42 5.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.198 1.799 . . . . 0.0 110.833 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -87.61 147.41 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.373 1.069 . . . . 0.0 113.487 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -137.63 127.73 25.96 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.929 1.691 . . . . 0.0 113.422 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.6 p -80.86 174.69 11.37 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.234 1.414 . . . . 0.0 111.453 167.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.98 -34.96 72.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.544 -0.722 . . . . 0.0 111.008 169.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.92 -32.57 72.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.434 1.093 . . . . 0.0 112.654 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -76.41 -18.74 58.68 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.14 -36.14 21.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.555 1.142 . . . . 0.0 111.317 170.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.31 -21.69 50.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.058 1.343 . . . . 0.0 112.474 169.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.68 -30.84 45.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.553 170.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -98.16 -32.8 11.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.952 1.301 . . . . 0.0 112.845 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 m -75.75 -29.17 58.76 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -141.5 -47.91 0.39 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.79 1.636 . . . . 0.0 112.777 -167.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.161 0 C-N-CA 125.441 1.496 . . . . 0.0 113.513 -178.243 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.519 -0.277 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 t 57.56 114.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 127.838 2.455 . . . . 0.0 113.575 -170.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -79.57 69.7 5.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.446 1.098 . . . . 0.0 111.286 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -132.95 126.59 32.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.211 1.804 . . . . 0.0 109.961 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -132.35 142.75 49.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.492 1.517 . . . . 0.0 110.246 171.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -146.17 149.32 33.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.908 1.683 . . . . 0.0 110.027 -170.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.93 159.38 42.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.352 0.661 . . . . 0.0 111.613 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.18 -143.43 45.94 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.601 0.62 . . . . 0.0 113.193 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -61.22 -23.32 65.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -66.91 -38.71 86.74 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.387 0.994 . . . . 0.0 111.735 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -71.54 -39.96 70.37 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.832 0.853 . . . . 0.0 111.031 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.1 -43.86 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.586 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.86 -44.78 92.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.096 0.862 . . . . 0.0 112.74 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.71 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.047 0.84 . . . . 0.0 111.854 174.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.1 -37.03 85.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.642 0.777 . . . . 0.0 111.742 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.89 -45.12 94.02 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.461 1.104 . . . . 0.0 111.628 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.82 -33.49 74.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.927 0.891 . . . . 0.0 112.709 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.01 -42.28 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 111.194 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.54 -25.79 61.51 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.027 -1.046 . . . . 0.0 113.172 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 42.47 97.44 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 120.126 1.33 . . . . 0.0 113.904 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 62.41 15.91 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -68.95 -14.21 62.9 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.689 -1.257 . . . . 0.0 113.869 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 134.38 5.12 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.013 1.768 . . . . 0.0 113.676 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -158.02 171.78 19.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.961 1.704 . . . . 0.0 111.249 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -132.24 142.91 49.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.208 1.403 . . . . 0.0 110.421 173.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -136.71 -15.81 1.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -169.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -73.72 126.17 89.86 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-N 119.392 0.996 . . . . 0.0 112.011 -169.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.41 -22.73 12.17 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.578 2.186 . . . . 0.0 113.791 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 50.61 -101.23 0.09 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.226 2.211 . . . . 0.0 113.191 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.317 4.7 t 49.91 38.08 15.27 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.953 2.101 . . . . 0.0 115.099 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -143.02 142.38 31.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.907 1.683 . . . . 0.0 111.497 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.806 2.442 . . . . 0.0 113.146 -179.414 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -56.96 -49.14 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -168.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.99 -28.87 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -89.82 -50.9 5.78 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.004 0.521 . . . . 0.0 111.069 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.5 -31.46 70.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.25 -1.88 40.91 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.952 0.901 . . . . 0.0 113.096 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -97.75 -50.72 4.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.782 1.233 . . . . 0.0 110.65 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -84.35 -14.73 48.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 113.861 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -148.43 -171.63 3.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.973 1.709 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.0 pt -92.21 152.99 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.98 1.712 . . . . 0.0 112.173 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.7 m -137.31 139.83 41.13 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.347 1.059 . . . . 0.0 112.224 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 p -85.78 164.2 17.72 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.37 1.068 . . . . 0.0 112.395 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.51 -31.07 72.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.439 -0.788 . . . . 0.0 111.955 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -75.59 -34.97 60.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.601 1.16 . . . . 0.0 111.777 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.44 -30.52 69.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.122 0.969 . . . . 0.0 111.557 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.25 -30.96 43.4 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.49 -21.67 65.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.738 1.153 . . . . 0.0 113.497 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -56.22 -29.7 61.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.327 1.051 . . . . 0.0 112.669 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -93.74 -6.21 46.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.811 1.245 . . . . 0.0 113.598 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -76.5 1.02 17.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 0.0 113.997 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.04 144.75 55.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.733 1.213 . . . . 0.0 112.247 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 C-N-CA 125.396 1.474 . . . . 0.0 113.943 -179.432 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.1 133.64 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.366 1.066 . . . . 0.0 112.178 -175.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -78.8 63.84 3.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.579 1.152 . . . . 0.0 111.388 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -113.72 129.99 56.49 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.336 1.454 . . . . 0.0 112.92 -171.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.08 155.05 18.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.105 1.362 . . . . 0.0 109.827 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.84 -89.17 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.445 1.098 . . . . 0.0 111.591 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 61.92 174.01 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.177 2.591 . . . . 0.0 113.935 -171.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.83 -137.43 46.27 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.153 -0.967 . . . . 0.0 113.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -76.63 -19.17 58.09 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -60.99 -35.94 78.15 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.93 1.241 . . . . 0.0 111.313 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.04 -38.02 89.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.771 1.628 . . . . 0.0 112.392 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.61 -41.34 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.243 1.017 . . . . 0.0 110.986 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.98 -42.53 84.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.444 1.098 . . . . 0.0 112.651 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.56 96.84 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.731 -0.606 . . . . 0.0 111.711 174.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -46.1 91.35 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.106 0.962 . . . . 0.0 110.683 174.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -48.24 78.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.721 1.208 . . . . 0.0 111.557 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.55 -33.15 72.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.391 1.076 . . . . 0.0 112.991 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 t -67.77 -43.23 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.192 0.997 . . . . 0.0 111.346 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.0 m -69.03 -44.3 72.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.782 0.719 . . . . 0.0 112.577 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.04 50.23 5.96 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.461 1.029 . . . . 0.0 112.922 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 59.4 32.45 21.82 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.536 1.534 . . . . 0.0 113.701 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.64 -16.55 59.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 0.0 114.764 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 117.11 0.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.455 1.503 . . . . 0.0 109.957 -167.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -151.93 175.75 12.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.286 1.035 . . . . 0.0 112.73 -169.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -127.99 143.34 51.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.875 1.27 . . . . 0.0 111.252 171.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -110.08 -1.01 17.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.696 1.199 . . . . 0.0 113.459 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -70.13 142.53 90.23 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.787 1.635 . . . . 0.0 110.757 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -62.43 146.2 95.62 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.289 1.993 . . . . 0.0 111.852 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -52.0 61.41 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.29 1.436 . . . . 0.0 112.623 -174.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.8 m 60.58 160.93 0.05 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.965 1.706 . . . . 0.0 113.839 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -77.81 62.12 2.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 C-N-CA 127.215 2.206 . . . . 0.0 110.679 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -70.0 -21.01 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.23 -28.72 17.63 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.995 0.816 . . . . 0.0 112.759 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.58 -35.42 80.93 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -169.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.22 -12.64 17.86 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.8 t -83.27 -41.76 17.95 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.392 -0.817 . . . . 0.0 111.42 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -94.13 -19.06 21.15 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.146 1.379 . . . . 0.0 113.955 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -142.67 -174.75 4.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.407 1.883 . . . . 0.0 110.859 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 pt -88.76 151.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.259 1.023 . . . . 0.0 112.847 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 p -141.66 152.24 43.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -122.74 174.36 7.16 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.742 2.017 . . . . 0.0 110.971 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.39 -36.74 66.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.089 -1.007 . . . . 0.0 111.769 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -64.59 -25.5 67.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.53 1.132 . . . . 0.0 113.371 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -85.14 -33.69 22.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.53 1.132 . . . . 0.0 111.568 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.82 -36.64 84.56 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.477 1.035 . . . . 0.0 111.888 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.16 -11.98 17.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 174.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -67.95 -24.64 65.19 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.128 -0.982 . . . . 0.0 112.566 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.72 -6.42 23.73 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.805 1.242 . . . . 0.0 113.453 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.546 0.821 0 C-N-CA 125.274 1.43 . . . . 0.0 111.738 168.107 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 113.331 0.864 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -111.82 146.22 38.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.805 1.642 . . . . 0.0 109.652 168.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -141.22 138.19 33.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.064 1.746 . . . . 0.0 109.649 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.86 156.08 46.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.926 0.89 . . . . 0.0 110.889 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.34 -136.38 50.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.47 0.557 . . . . 0.0 113.497 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.7 p -63.4 -23.83 67.58 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -67.29 -37.74 83.88 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.35 0.977 . . . . 0.0 111.528 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.8 -38.85 70.2 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.355 1.062 . . . . 0.0 111.484 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.59 -43.09 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-O 118.902 -0.57 . . . . 0.0 110.998 171.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.29 -39.92 93.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.775 1.17 . . . . 0.0 112.522 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.0 89.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.196 -0.94 . . . . 0.0 111.881 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.94 -35.41 80.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.489 0.716 . . . . 0.0 112.291 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.85 -38.78 92.16 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.856 -1.153 . . . . 0.0 111.225 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.88 -35.78 59.75 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.882 -1.136 . . . . 0.0 113.112 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.89 -30.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.071 0.948 . . . . 0.0 111.927 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -135.42 -12.11 2.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 -169.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.08 -18.49 54.91 Favored Glycine 0 N--CA 1.479 1.515 0 CA-C-N 120.75 1.614 . . . . 0.0 115.495 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -88.96 -9.69 50.5 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.015 1.326 . . . . 0.0 113.33 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -112.55 -19.78 11.98 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.494 2.318 . . . . 0.0 113.02 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.74 156.22 32.36 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.779 2.133 . . . . 0.0 111.628 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 N--CA 1.469 0.518 0 C-N-CA 124.483 1.113 . . . . 0.0 112.957 179.255 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -102.19 -40.03 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.164 0.986 . . . . 0.0 112.617 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.61 -28.17 45.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.55 -20.34 66.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.206 0.912 . . . . 0.0 112.978 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -102.72 -24.57 13.73 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.83 1.252 . . . . 0.0 114.24 170.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.02 -30.67 16.66 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.645 0.778 . . . . 0.0 113.095 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -105.09 -18.14 14.25 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.178 1.391 . . . . 0.0 113.541 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.03 162.12 35.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.969 2.108 . . . . 0.0 110.613 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -71.47 146.29 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.716 -0.615 . . . . 0.0 111.93 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -141.8 157.23 45.27 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.7 p -105.79 165.46 11.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.43 -33.1 72.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.791 0.837 . . . . 0.0 110.843 169.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -66.45 -34.27 77.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.711 0.804 . . . . 0.0 112.494 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -73.56 -36.05 65.57 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.418 -0.801 . . . . 0.0 112.048 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.27 -37.49 87.66 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.443 -0.786 . . . . 0.0 111.74 171.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.44 -29.14 68.53 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.847 -1.158 . . . . 0.0 113.098 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.31 -33.05 72.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.127 -0.983 . . . . 0.0 111.901 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.64 -36.17 70.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.222 0.609 . . . . 0.0 112.114 170.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 124.71 1.204 . . . . 0.0 112.783 177.242 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -109.78 132.1 54.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.806 1.643 . . . . 0.0 109.497 167.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.59 133.56 24.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.254 1.422 . . . . 0.0 110.694 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.28 160.51 40.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.269 1.027 . . . . 0.0 110.985 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -137.92 45.36 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.404 0.526 . . . . 0.0 113.134 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -64.87 -23.06 67.12 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -65.24 -40.25 93.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.635 1.107 . . . . 0.0 111.351 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.87 -43.84 78.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.922 0.889 . . . . 0.0 110.926 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.52 -44.72 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.451 0.569 . . . . 0.0 111.007 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.69 -41.72 92.06 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.097 0.862 . . . . 0.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.17 97.01 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.45 -0.781 . . . . 0.0 111.55 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.59 -41.52 94.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.424 1.09 . . . . 0.0 110.855 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.45 -49.4 77.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.424 1.09 . . . . 0.0 111.959 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.64 -32.8 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.681 0.792 . . . . 0.0 112.758 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.05 -38.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.931 0.892 . . . . 0.0 112.053 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -75.08 -31.31 61.18 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.234 1.013 . . . . 0.0 112.39 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.22 36.89 93.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.479 0.562 . . . . 0.0 113.189 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 62.35 25.05 14.95 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.011 1.724 . . . . 0.0 115.586 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -64.42 -16.55 62.58 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.453 1.101 . . . . 0.0 113.188 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.96 121.54 3.61 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 126.495 1.998 . . . . 0.0 112.69 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 112.142 -173.768 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -80.73 -19.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.16 -33.6 19.34 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.499 -0.751 . . . . 0.0 112.44 -172.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.25 -22.14 64.78 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -172.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.2 m -100.35 -20.8 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.357 1.463 . . . . 0.0 113.737 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.4 t -93.16 -37.7 11.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.919 0.888 . . . . 0.0 113.34 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -86.43 -23.15 26.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.343 1.057 . . . . 0.0 113.358 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -152.07 176.2 11.77 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.596 1.958 . . . . 0.0 109.483 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -75.15 147.12 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.366 -0.834 . . . . 0.0 112.266 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -133.78 168.14 19.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.907 1.283 . . . . 0.0 112.536 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -110.89 163.93 13.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.083 1.353 . . . . 0.0 114.32 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.61 -27.02 57.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.448 0.699 . . . . 0.0 112.547 169.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.73 -30.45 68.07 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.237 -0.914 . . . . 0.0 112.357 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -74.83 -34.9 62.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.245 1.018 . . . . 0.0 111.427 171.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.33 -38.25 81.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.4 -24.16 67.54 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.467 -1.395 . . . . 0.0 113.147 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.92 -35.63 69.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.197 -0.939 . . . . 0.0 112.211 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.33 -21.69 61.29 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.354 -0.841 . . . . 0.0 112.763 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.549 0.905 0 C-N-CA 126.239 1.816 . . . . 0.0 113.553 172.795 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -92.06 114.98 27.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.733 1.613 . . . . 0.0 109.072 167.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.57 135.81 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.189 1.396 . . . . 0.0 110.013 173.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.04 157.96 44.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.943 0.897 . . . . 0.0 111.123 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 -136.42 49.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.88 0.752 . . . . 0.0 113.325 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.9 p -63.48 -23.0 67.21 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -70.41 -34.02 72.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.6 1.091 . . . . 0.0 111.671 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.94 -39.8 69.16 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.15 0.98 . . . . 0.0 111.48 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.91 -45.04 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.65 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.56 -47.41 81.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.909 0.884 . . . . 0.0 112.577 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.16 89.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.026 0.83 . . . . 0.0 111.945 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.01 -39.71 93.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.023 0.929 . . . . 0.0 112.547 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.15 -43.99 98.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.292 1.037 . . . . 0.0 110.842 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.26 -38.15 68.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.466 1.106 . . . . 0.0 113.022 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.97 -38.26 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 118.829 0.741 . . . . 0.0 111.764 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.59 -23.58 45.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.308 1.043 . . . . 0.0 113.155 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.42 32.71 85.09 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.114 0.864 . . . . 0.0 113.186 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 58.42 23.9 11.15 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.062 1.745 . . . . 0.0 114.876 -172.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -27.23 68.28 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.483 -1.386 . . . . 0.0 112.943 173.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.46 121.68 2.6 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 126.711 2.1 . . . . 0.0 111.982 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.467 0.407 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -178.155 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.3 -15.23 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.19 -33.84 13.14 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.517 1.127 . . . . 0.0 112.337 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.06 -38.79 80.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.146 0.885 . . . . 0.0 112.56 -171.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.25 -13.71 21.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.709 1.204 . . . . 0.0 113.815 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.35 -34.42 17.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.14 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.1 p -92.36 -17.76 24.23 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.215 1.406 . . . . 0.0 114.185 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -148.62 174.11 12.48 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.409 1.483 . . . . 0.0 111.273 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 pt -78.36 145.37 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.005 0.922 . . . . 0.0 112.674 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.05 152.97 48.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.574 1.55 . . . . 0.0 112.796 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 p -112.36 176.13 5.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.233 2.213 . . . . 0.0 111.354 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 mt -54.68 -36.5 64.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.521 0.728 . . . . 0.0 111.486 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.06 -33.11 61.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.064 1.345 . . . . 0.0 112.29 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -69.94 -27.67 64.94 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.619 -0.676 . . . . 0.0 112.159 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.57 -37.7 49.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.569 0.748 . . . . 0.0 112.339 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.15 -26.63 51.13 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.844 -1.16 . . . . 0.0 113.219 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -53.15 -30.57 37.71 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.77 1.628 . . . . 0.0 113.371 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -96.64 -0.72 48.08 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 113.142 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.517 1.527 . . . . 0.0 111.473 169.697 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -76.42 139.76 41.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.648 1.179 . . . . 0.0 111.73 171.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -144.14 135.55 25.73 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.722 2.009 . . . . 0.0 110.142 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -142.36 159.42 42.27 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.997 0.919 . . . . 0.0 111.218 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.43 -139.23 44.91 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.606 0.622 . . . . 0.0 113.173 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -66.62 -19.14 65.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -66.99 -37.86 84.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.912 1.233 . . . . 0.0 111.668 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -67.39 -40.37 85.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.367 1.067 . . . . 0.0 111.057 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.68 -42.96 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.525 0.73 . . . . 0.0 111.44 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.05 -43.48 87.35 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.928 0.785 . . . . 0.0 112.244 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.83 98.71 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.596 -0.69 . . . . 0.0 111.52 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.1 -39.24 91.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.458 0.703 . . . . 0.0 111.799 172.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -62.44 -42.9 99.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.356 0.98 . . . . 0.0 111.659 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.46 -35.75 75.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.196 0.999 . . . . 0.0 112.732 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.8 -44.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.223 1.009 . . . . 0.0 111.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -78.04 -26.59 48.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.782 0.833 . . . . 0.0 112.985 -175.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.55 64.93 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.046 1.308 . . . . 0.0 115.273 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.86 20.58 9.49 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.072 1.749 . . . . 0.0 115.528 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -21.28 64.14 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.684 -1.26 . . . . 0.0 112.859 169.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.3 127.46 3.76 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.5 2.0 . . . . 0.0 112.094 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.165 1.386 . . . . 0.0 112.506 -176.01 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -77.93 -9.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -93.63 -37.78 11.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.146 1.379 . . . . 0.0 111.079 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -70.06 -26.71 64.14 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 m -93.22 -15.04 26.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 170.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.4 t -92.41 -33.51 14.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.968 0.907 . . . . 0.0 112.805 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -98.58 -18.77 17.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.535 1.534 . . . . 0.0 113.753 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 m -138.04 158.08 45.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.175 2.19 . . . . 0.0 109.539 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 pt -60.81 140.09 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.652 -0.655 . . . . 0.0 112.561 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.92 164.73 17.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.606 1.162 . . . . 0.0 112.528 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 t -152.68 144.77 23.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.387 1.075 . . . . 0.0 111.109 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -53.59 -32.45 51.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.631 1.173 . . . . 0.0 111.714 171.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -74.21 -33.64 63.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.65 0.78 . . . . 0.0 112.398 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -77.68 -32.53 53.18 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.822 -0.549 . . . . 0.0 111.756 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.35 -43.23 98.3 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.336 -0.853 . . . . 0.0 110.876 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.15 -33.29 74.22 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.451 -1.405 . . . . 0.0 112.787 170.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.24 -38.6 91.81 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.387 -0.82 . . . . 0.0 111.027 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -70.38 -32.42 70.07 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.326 -0.858 . . . . 0.0 112.487 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 118.882 0.765 . . . . 0.0 112.154 172.415 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -81.5 153.23 26.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.201 1.4 . . . . 0.0 111.873 169.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -138.67 136.76 36.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.028 1.731 . . . . 0.0 109.482 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -145.37 159.68 42.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.723 0.809 . . . . 0.0 111.426 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.55 -141.03 42.48 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.754 0.692 . . . . 0.0 113.17 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.6 p -64.19 -22.6 67.0 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -64.92 -40.85 95.7 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.57 1.077 . . . . 0.0 111.303 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.26 -40.8 74.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.783 0.833 . . . . 0.0 111.517 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.11 -43.7 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.108 0.563 . . . . 0.0 110.717 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.92 -42.9 89.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.237 0.926 . . . . 0.0 112.164 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.37 97.97 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.444 -0.785 . . . . 0.0 111.7 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.23 -40.78 98.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.765 0.826 . . . . 0.0 111.735 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.26 -42.82 92.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.034 0.934 . . . . 0.0 111.82 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.88 -34.07 68.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.506 1.122 . . . . 0.0 113.049 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.33 -39.65 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.709 0.803 . . . . 0.0 112.218 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -74.8 -36.04 62.47 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.224 0.92 . . . . 0.0 111.679 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.27 55.63 5.57 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.21 0.909 . . . . 0.0 113.282 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.35 37.33 25.9 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.941 1.296 . . . . 0.0 113.473 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.56 -12.41 60.21 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -170.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.07 32.87 30.85 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.878 0.751 . . . . 0.0 113.072 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.9 p90 . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 126.268 1.827 . . . . 0.0 112.425 177.318 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -73.23 -29.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -74.6 -27.78 60.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.026 0.931 . . . . 0.0 112.25 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -52.34 -32.15 36.84 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.774 1.63 . . . . 0.0 113.273 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 -17.58 8.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -87.78 -18.8 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.552 1.069 . . . . 0.0 113.335 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -132.49 -41.18 0.97 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.458 1.103 . . . . 0.0 111.504 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.5 m -83.71 176.44 8.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.278 1.031 . . . . 0.0 110.202 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 pt -102.76 139.5 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.476 1.11 . . . . 0.0 111.358 170.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.69 151.96 32.76 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -171.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 p -110.72 162.4 14.8 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.381 1.472 . . . . 0.0 113.217 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.27 -34.79 74.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.518 0.727 . . . . 0.0 110.823 170.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.97 -33.85 76.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.006 0.922 . . . . 0.0 112.416 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -73.64 -38.1 65.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.177 0.991 . . . . 0.0 111.762 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.03 -32.58 74.14 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.203 -0.935 . . . . 0.0 112.434 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.89 -30.54 71.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.687 0.795 . . . . 0.0 112.862 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -66.23 -26.93 67.6 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.284 0.947 . . . . 0.0 112.464 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.15 -8.34 53.89 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.343 1.057 . . . . 0.0 113.825 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 CA--C 1.542 0.656 0 O-C-N 120.987 -1.071 . . . . 0.0 112.33 -179.674 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -119.01 153.07 35.27 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.916 1.286 . . . . 0.0 112.378 169.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.3 mt -156.8 150.28 24.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.891 2.476 . . . . 0.0 109.457 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -147.39 159.55 43.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.302 -0.873 . . . . 0.0 111.983 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.08 -136.07 50.92 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.927 0.775 . . . . 0.0 113.43 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -62.26 -22.79 66.27 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -70.17 -36.41 74.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.816 1.189 . . . . 0.0 111.694 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -73.01 -37.84 66.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.095 0.958 . . . . 0.0 111.169 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.11 -42.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.757 -0.589 . . . . 0.0 111.347 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.52 -37.9 89.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.587 1.085 . . . . 0.0 112.31 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.08 94.38 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.384 -0.822 . . . . 0.0 111.857 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.07 -44.64 83.27 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.708 1.203 . . . . 0.0 110.539 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.04 -46.42 90.79 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.63 1.572 . . . . 0.0 112.096 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.6 -34.15 64.93 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.599 1.16 . . . . 0.0 112.665 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -74.16 -38.83 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.042 0.937 . . . . 0.0 111.643 175.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -70.79 -29.82 66.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.799 0.84 . . . . 0.0 111.964 173.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.29 45.62 8.69 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 124.746 1.165 . . . . 0.0 113.864 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 58.93 27.19 15.91 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.153 1.381 . . . . 0.0 113.954 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -19.95 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.778 -1.202 . . . . 0.0 113.959 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 126.21 1.41 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.243 1.401 . . . . 0.0 111.094 -171.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 124.457 1.103 . . . . 0.0 112.301 -169.785 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.31 -21.83 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.285 1.434 . . . . 0.0 113.806 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.0 -50.46 5.09 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.649 1.179 . . . . 0.0 110.312 170.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 -31.45 72.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.628 0.974 . . . . 0.0 113.628 -169.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.6 m -95.81 -9.67 30.98 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -107.06 -40.43 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.834 0.854 . . . . 0.0 112.616 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -80.46 -17.55 51.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.23 1.012 . . . . 0.0 113.554 172.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -146.43 -179.69 6.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.087 1.755 . . . . 0.0 111.367 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.37 153.32 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.018 0.927 . . . . 0.0 113.467 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 m -135.55 156.57 48.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.752 1.621 . . . . 0.0 112.123 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -149.87 170.38 18.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.618 1.967 . . . . 0.0 109.931 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.84 -40.23 55.44 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.56 1.544 . . . . 0.0 112.439 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -65.32 -28.25 69.17 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -91.24 -29.66 17.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.309 1.044 . . . . 0.0 112.205 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.83 -37.39 87.45 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.201 -0.937 . . . . 0.0 111.089 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -25.71 67.08 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.649 -1.282 . . . . 0.0 112.976 170.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -67.01 -35.7 80.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.095 0.958 . . . . 0.0 112.268 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -78.02 -30.42 49.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.569 -0.707 . . . . 0.0 112.044 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.2 t . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 125.125 1.37 . . . . 0.0 113.488 -179.629 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -82.49 145.25 29.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.469 0.707 . . . . 0.0 110.321 169.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -140.83 153.84 45.95 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.206 2.202 . . . . 0.0 109.392 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 172.22 15.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.067 -1.021 . . . . 0.0 111.07 173.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.23 -136.85 49.4 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 121.791 -0.568 . . . . 0.0 112.663 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -74.68 -21.45 59.4 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -64.52 -33.27 75.51 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.454 1.479 . . . . 0.0 112.057 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.98 -32.93 74.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.019 1.728 . . . . 0.0 112.313 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.56 -36.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.258 1.023 . . . . 0.0 111.081 170.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.33 -37.12 84.62 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.547 1.139 . . . . 0.0 112.734 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.18 93.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.262 -0.899 . . . . 0.0 111.987 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -38.77 92.26 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.944 0.898 . . . . 0.0 110.793 170.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.42 -33.01 74.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.443 1.097 . . . . 0.0 112.938 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.04 -25.74 43.19 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.733 -1.229 . . . . 0.0 113.015 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.6 t -81.01 -35.58 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.37 1.068 . . . . 0.0 112.526 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 m -145.04 -3.49 0.76 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -171.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.33 -15.33 58.84 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.474 -1.391 . . . . 0.0 114.998 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.71 -24.8 44.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.973 0.887 . . . . 0.0 112.299 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -85.77 -37.75 18.97 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.433 1.493 . . . . 0.0 111.533 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.05 145.04 16.99 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.793 1.663 . . . . 0.0 112.351 -170.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.481 1.512 . . . . 0.0 111.611 -174.863 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 m -65.95 -14.58 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -104.0 -36.01 7.9 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 111.958 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.88 -34.0 72.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.669 1.187 . . . . 0.0 113.637 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.5 t -96.76 -12.93 23.04 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.065 1.346 . . . . 0.0 113.221 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -92.79 -41.69 9.97 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 0.0 113.334 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.73 -17.91 24.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.88 1.272 . . . . 0.0 113.911 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -138.09 165.68 26.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.497 1.919 . . . . 0.0 111.096 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.5 pt -66.01 149.95 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.05 154.94 43.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.887 1.275 . . . . 0.0 113.649 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -135.16 171.09 14.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.978 2.111 . . . . 0.0 111.821 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.56 -34.22 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.665 -0.647 . . . . 0.0 112.71 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -71.35 -32.06 68.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.602 0.761 . . . . 0.0 112.181 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -74.25 -37.25 63.84 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.552 0.741 . . . . 0.0 111.715 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.37 -43.69 76.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.98 0.912 . . . . 0.0 112.313 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.26 -21.7 49.55 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.941 -1.099 . . . . 0.0 113.958 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -65.13 -24.45 67.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.252 1.021 . . . . 0.0 112.982 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.95 -13.38 41.96 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 125.321 1.449 . . . . 0.0 114.574 -176.868 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -115.61 153.72 30.75 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.353 1.861 . . . . 0.0 109.732 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.8 mt -139.6 144.09 37.59 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.885 1.274 . . . . 0.0 110.592 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -143.12 162.71 34.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.884 0.874 . . . . 0.0 111.254 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -139.31 48.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 123.514 0.578 . . . . 0.0 112.785 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.7 p -67.83 -20.72 65.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.68 -36.95 83.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.782 1.174 . . . . 0.0 111.7 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.16 -45.26 92.69 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.752 1.221 . . . . 0.0 110.938 173.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.09 -41.81 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.035 0.934 . . . . 0.0 111.165 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -66.26 -42.09 88.98 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.045 0.938 . . . . 0.0 111.615 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.67 99.7 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.171 0.442 . . . . 0.0 111.75 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.41 -41.4 93.83 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.849 0.75 . . . . 0.0 111.915 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -48.74 80.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.896 1.279 . . . . 0.0 111.706 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.66 -32.65 60.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.179 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.61 -43.83 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.301 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -87.9 -25.04 23.44 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.19 45.16 20.63 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.057 0.837 . . . . 0.0 113.446 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 56.59 47.28 18.82 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.395 1.478 . . . . 0.0 113.052 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -106.02 17.08 24.13 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 126.585 1.954 . . . . 0.0 114.069 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.65 132.34 1.73 Allowed Glycine 0 N--CA 1.469 0.863 0 C-N-CA 126.276 1.893 . . . . 0.0 112.999 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 125.543 1.537 . . . . 0.0 111.317 176.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -61.95 -24.06 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -94.98 -47.95 6.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.01 0.924 . . . . 0.0 110.819 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.18 -33.77 76.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.42 -10.7 26.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -102.82 -32.18 9.93 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.927 0.785 . . . . 0.0 112.665 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -90.44 -14.6 32.53 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -144.13 166.93 23.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 111.034 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 pt -64.06 144.67 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.097 0.559 . . . . 0.0 112.386 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.54 153.57 39.06 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.961 1.304 . . . . 0.0 112.823 169.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -147.39 167.54 24.11 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.982 2.513 . . . . 0.0 108.674 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.74 -35.32 55.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -67.05 -22.88 65.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -84.71 -37.27 21.13 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.348 1.059 . . . . 0.0 111.892 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.67 -42.34 99.57 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.702 1.137 . . . . 0.0 111.498 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -16.81 60.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.745 1.218 . . . . 0.0 113.863 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -68.78 -24.15 64.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.385 -0.822 . . . . 0.0 112.681 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.77 -30.36 16.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.099 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -82.21 143.85 31.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 168.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.33 151.58 51.79 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.073 1.749 . . . . 0.0 109.463 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 169.59 18.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 110.334 171.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.88 -133.29 52.76 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 121.598 -0.688 . . . . 0.0 113.098 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -73.79 -24.36 59.82 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -67.89 -32.4 72.86 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.72 1.6 . . . . 0.0 112.552 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.26 -34.76 78.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.42 1.088 . . . . 0.0 111.664 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.62 -39.28 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.88 1.272 . . . . 0.0 110.986 170.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -62.23 -37.38 85.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.397 1.479 . . . . 0.0 112.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.88 90.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.111 0.869 . . . . 0.0 111.843 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.77 -33.79 75.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.18 0.992 . . . . 0.0 111.74 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.29 -42.93 82.93 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.337 1.055 . . . . 0.0 111.887 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.97 -28.59 57.94 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.837 -1.164 . . . . 0.0 112.879 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.81 -31.15 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.573 1.149 . . . . 0.0 112.213 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.3 m -144.57 2.74 1.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -169.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.93 -19.52 37.52 Favored Glycine 0 N--CA 1.48 1.6 0 CA-C-N 120.07 1.305 . . . . 0.0 116.115 -174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -103.86 -8.54 19.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.396 1.479 . . . . 0.0 113.707 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -105.58 -11.63 16.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.25 2.62 . . . . 0.0 113.298 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.54 121.44 4.9 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.356 1.931 . . . . 0.0 113.044 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 177.168 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.53 -28.51 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.82 -29.65 64.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -166.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -61.21 -36.99 81.41 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.782 1.174 . . . . 0.0 111.832 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.06 -20.67 18.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.631 1.173 . . . . 0.0 113.129 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -86.0 -28.32 24.27 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.345 -0.847 . . . . 0.0 112.518 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -106.13 -11.24 16.16 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -146.39 179.53 7.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.688 1.595 . . . . 0.0 111.401 173.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 pt -74.07 -24.45 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p 47.96 -167.21 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.549 2.74 . . . . 0.0 115.219 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -151.03 164.26 36.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.052 0.941 . . . . 0.0 112.377 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.61 -29.94 62.69 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.648 0.779 . . . . 0.0 112.822 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -64.89 -25.29 67.82 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.488 0.715 . . . . 0.0 112.893 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -84.08 -31.28 25.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.37 1.068 . . . . 0.0 112.019 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.44 -39.65 85.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.987 0.515 . . . . 0.0 111.007 169.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.48 -20.95 66.51 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.853 -1.154 . . . . 0.0 113.263 173.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -73.99 -28.94 61.7 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.05 0.841 . . . . 0.0 112.756 171.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.89 -26.14 43.88 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.862 0.865 . . . . 0.0 112.766 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.9 t . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.385 1.474 . . . . 0.0 112.316 175.466 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.75 139.64 57.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.727 0.811 . . . . 0.0 112.584 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.09 134.95 30.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.69 1.996 . . . . 0.0 110.079 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -141.73 151.97 43.41 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.327 1.051 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.91 -135.54 48.98 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 123.413 0.53 . . . . 0.0 113.51 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -59.32 -26.45 65.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -68.39 -36.25 78.87 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.125 -0.984 . . . . 0.0 111.647 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 tp -73.41 -37.35 65.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.365 0.666 . . . . 0.0 111.49 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.92 -39.91 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.065 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -42.81 99.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.775 1.171 . . . . 0.0 112.32 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.06 81.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.628 -0.67 . . . . 0.0 112.196 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.85 -40.56 80.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.55 1.14 . . . . 0.0 111.95 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.28 -43.03 99.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.476 1.11 . . . . 0.0 111.558 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.7 mt -74.62 -36.48 62.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.712 1.205 . . . . 0.0 112.812 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.33 -39.82 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.974 0.806 . . . . 0.0 111.717 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 t -78.56 -29.78 46.5 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.0 113.234 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.69 44.48 81.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.775 0.702 . . . . 0.0 113.496 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.78 16.82 9.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -74.25 -7.69 53.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.448 1.499 . . . . 0.0 114.24 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.84 145.4 8.27 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.486 1.517 . . . . 0.0 113.089 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.44 1.096 . . . . 0.0 113.406 -171.371 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 -1.06 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -170.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.46 -28.08 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.098 -1.001 . . . . 0.0 112.29 169.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -61.8 -32.35 72.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.596 1.158 . . . . 0.0 112.633 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.01 -20.0 15.58 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -98.07 -49.93 4.57 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -96.57 -29.52 13.81 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.708 0.686 . . . . 0.0 112.34 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -99.92 170.24 8.65 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.058 1.343 . . . . 0.0 111.047 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.87 139.59 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 110.05 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.1 177.38 7.91 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -142.47 170.36 15.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.219 1.408 . . . . 0.0 112.222 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.93 -39.81 66.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.471 1.508 . . . . 0.0 111.52 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -67.1 -20.39 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.927 1.291 . . . . 0.0 113.657 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -88.29 -36.57 16.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.367 1.067 . . . . 0.0 111.245 170.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.3 -31.08 71.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.449 0.699 . . . . 0.0 112.514 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.62 -24.68 64.02 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -69.76 -18.25 63.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.112 0.965 . . . . 0.0 112.803 -178.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.1 -6.48 24.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.714 1.206 . . . . 0.0 113.419 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.43 1.092 . . . . 0.0 112.596 169.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -102.74 136.36 42.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.034 1.334 . . . . 0.0 109.857 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -150.53 131.75 14.5 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.82 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.9 m -136.89 165.64 25.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.712 1.205 . . . . 0.0 112.075 -169.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.58 -140.43 45.66 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.108 0.861 . . . . 0.0 114.376 169.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -66.5 -24.08 66.35 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -64.39 -38.83 92.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.86 0.755 . . . . 0.0 111.192 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.48 -41.7 88.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.328 1.051 . . . . 0.0 111.817 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -61.79 -44.94 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.262 0.625 . . . . 0.0 110.882 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.71 -42.35 99.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.814 0.846 . . . . 0.0 112.31 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.89 95.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.18 -0.95 . . . . 0.0 112.163 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.3 98.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.681 0.792 . . . . 0.0 111.073 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.04 -48.09 79.37 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.727 1.611 . . . . 0.0 111.517 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.13 -31.97 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.043 0.937 . . . . 0.0 113.019 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.74 -42.76 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.393 174.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 60.4 m -75.1 -33.29 61.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.46 53.96 11.73 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.685 0.675 . . . . 0.0 113.709 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 58.89 41.69 20.88 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.35 1.46 . . . . 0.0 114.005 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -108.35 -3.45 18.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.404 1.882 . . . . 0.0 114.387 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 149.3 9.61 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.275 1.417 . . . . 0.0 112.509 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 124.856 1.262 . . . . 0.0 112.651 -176.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -83.26 -33.62 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.021 0.928 . . . . 0.0 111.85 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.83 -32.85 73.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.306 1.442 . . . . 0.0 112.806 -175.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -58.27 -23.21 55.44 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.782 1.233 . . . . 0.0 113.571 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -18.86 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 172.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.5 t -82.73 -20.39 36.08 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.253 0.933 . . . . 0.0 113.334 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -133.5 -40.18 0.89 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.197 0.999 . . . . 0.0 111.489 169.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -82.93 178.11 8.32 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.21 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 pt -102.63 148.5 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.763 1.225 . . . . 0.0 111.629 174.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -134.6 160.81 36.92 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -133.3 170.75 14.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.933 2.093 . . . . 0.0 110.328 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -52.54 -33.16 44.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -68.11 -22.64 64.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.872 0.869 . . . . 0.0 112.849 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -79.71 -42.89 23.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.95 0.9 . . . . 0.0 111.011 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.02 -40.75 96.76 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.959 0.8 . . . . 0.0 111.965 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.37 -13.8 15.16 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -73.47 -21.67 60.38 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.056 -1.028 . . . . 0.0 113.115 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.39 -3.37 33.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -171.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -175.294 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -124.78 156.12 38.26 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.327 1.451 . . . . 0.0 112.336 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -154.12 146.11 23.59 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.434 2.294 . . . . 0.0 109.895 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.82 160.23 42.98 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.633 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -132.31 46.02 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.022 0.82 . . . . 0.0 113.469 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -63.32 -23.21 67.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -70.93 -37.85 72.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.659 1.118 . . . . 0.0 111.59 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.4 -38.92 71.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.247 1.019 . . . . 0.0 111.418 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.41 -45.57 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.798 0.839 . . . . 0.0 111.295 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.64 -40.92 98.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.35 0.977 . . . . 0.0 112.016 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.0 96.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.672 -0.643 . . . . 0.0 111.874 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.73 -41.5 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.845 0.858 . . . . 0.0 112.296 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.73 -47.43 86.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.481 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.98 -31.9 30.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.426 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -65.26 -46.4 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.015 0.825 . . . . 0.0 110.644 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.89 -24.35 28.53 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.51 53.38 4.38 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.702 1.144 . . . . 0.0 112.764 173.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 59.58 31.96 21.29 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.279 1.432 . . . . 0.0 113.87 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -71.46 -20.05 62.14 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.951 1.3 . . . . 0.0 114.462 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.84 135.12 7.87 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.881 1.705 . . . . 0.0 110.362 -167.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 p90 . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 123.927 0.891 . . . . 0.0 113.015 -172.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.06 -28.61 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 120.976 -1.077 . . . . 0.0 112.14 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.51 -34.3 63.01 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.55 -0.719 . . . . 0.0 111.601 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.92 -44.13 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.04 0.836 . . . . 0.0 113.11 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -82.01 -20.84 37.6 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -76.0 -37.6 58.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.718 0.807 . . . . 0.0 111.69 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -101.03 -14.27 17.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.484 1.514 . . . . 0.0 114.307 -174.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.61 177.39 8.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.783 1.633 . . . . 0.0 111.939 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.78 145.37 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.219 1.007 . . . . 0.0 112.755 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -142.92 167.45 22.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 113.564 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -136.81 177.94 7.46 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.521 1.928 . . . . 0.0 112.026 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.76 -29.6 28.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 170.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -73.89 -29.91 62.33 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.357 -0.84 . . . . 0.0 112.422 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -81.05 -26.1 36.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.553 0.741 . . . . 0.0 112.585 169.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.99 -38.28 75.97 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.963 -1.085 . . . . 0.0 111.169 169.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -67.88 -12.03 59.86 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 119.867 -1.771 . . . . 0.0 113.705 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.94 -24.25 60.78 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.911 -1.118 . . . . 0.0 112.813 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.58 -20.58 31.25 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.086 -1.009 . . . . 0.0 112.866 169.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 125.891 1.676 . . . . 0.0 113.636 -171.093 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.16 142.26 27.69 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.329 1.451 . . . . 0.0 108.698 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.68 128.68 13.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.122 0.969 . . . . 0.0 110.876 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -136.79 165.01 26.93 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.736 0.815 . . . . 0.0 112.742 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.94 -138.22 49.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.211 0.91 . . . . 0.0 114.322 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.2 p -66.52 -22.05 66.17 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -69.28 -39.77 78.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.371 0.987 . . . . 0.0 111.213 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.34 -47.18 87.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.445 1.098 . . . . 0.0 110.613 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.44 -37.38 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.317 0.647 . . . . 0.0 112.189 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.79 -45.96 69.95 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.525 1.057 . . . . 0.0 111.998 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.48 99.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.686 -0.634 . . . . 0.0 111.749 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.33 -41.09 88.31 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.661 1.184 . . . . 0.0 111.835 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -44.64 96.89 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.449 1.022 . . . . 0.0 111.413 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.16 -35.24 68.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.54 1.136 . . . . 0.0 112.941 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.98 -38.58 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.29 1.036 . . . . 0.0 111.756 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.59 -27.5 55.82 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.423 -0.798 . . . . 0.0 112.59 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.7 42.15 99.71 Favored Glycine 0 CA--C 1.534 1.221 0 O-C-N 121.476 -0.765 . . . . 0.0 112.664 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.354 10.8 pt-20 53.69 26.34 5.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.429 2.291 . . . . 0.0 116.947 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -64.82 -16.66 63.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.627 1.171 . . . . 0.0 112.798 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.19 138.06 9.65 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.602 2.049 . . . . 0.0 112.003 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 124.098 0.959 . . . . 0.0 112.928 -174.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.307 9.6 tp . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.32 -24.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.62 -36.43 51.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.768 0.713 . . . . 0.0 112.702 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.8 -44.04 97.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.233 1.013 . . . . 0.0 112.067 -171.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -82.43 -14.59 54.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.238 1.015 . . . . 0.0 113.683 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -86.37 -37.02 18.84 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.552 0.741 . . . . 0.0 111.783 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -92.45 -18.6 23.01 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.421 1.488 . . . . 0.0 114.449 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -142.44 179.46 6.93 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.389 1.876 . . . . 0.0 111.296 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -75.84 152.52 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.207 -0.933 . . . . 0.0 112.058 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 m -133.61 128.19 34.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -95.43 167.41 11.34 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.83 1.652 . . . . 0.0 110.614 168.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -54.87 -31.15 59.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -69.33 -28.5 66.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.491 -0.755 . . . . 0.0 113.026 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.89 -30.72 56.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.437 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.33 -38.15 42.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.939 0.896 . . . . 0.0 112.109 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.3 -22.86 66.37 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.305 -1.497 . . . . 0.0 113.394 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.4 -34.46 77.79 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.324 -0.86 . . . . 0.0 112.255 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.48 -36.66 44.88 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.075 0.95 . . . . 0.0 111.648 171.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 123.209 0.603 . . . . 0.0 112.283 178.568 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -87.04 148.18 25.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.35 1.06 . . . . 0.0 109.985 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.3 mt -142.68 141.17 31.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.89 1.676 . . . . 0.0 110.08 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.58 156.96 46.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.08 0.952 . . . . 0.0 111.162 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -141.44 48.08 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 121.953 -0.467 . . . . 0.0 112.675 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -65.66 -25.41 67.33 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.59 -0.947 . . . . 0.0 113.469 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -68.42 -29.4 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.432 1.015 . . . . 0.0 112.678 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 tp -68.4 -37.58 80.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.2 0.6 . . . . 0.0 111.315 170.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.96 -42.07 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.143 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.98 -44.14 97.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.655 1.182 . . . . 0.0 112.245 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.36 86.39 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.395 -0.816 . . . . 0.0 112.493 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.68 -38.96 89.74 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.498 0.719 . . . . 0.0 111.58 172.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.88 -44.92 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.574 1.15 . . . . 0.0 111.833 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.21 -36.61 79.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.27 1.028 . . . . 0.0 112.749 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.24 -40.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.801 0.84 . . . . 0.0 111.432 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.12 -30.57 71.09 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.286 -0.884 . . . . 0.0 112.803 172.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.36 76.88 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 120.143 1.338 . . . . 0.0 112.656 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.261 14.4 tt0 60.97 27.57 17.43 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.628 1.971 . . . . 0.0 115.314 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -63.66 -17.53 63.03 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.624 -1.298 . . . . 0.0 113.535 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.69 130.18 5.89 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.89 1.71 . . . . 0.0 113.087 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 126.274 1.829 . . . . 0.0 110.217 -177.397 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.26 -30.72 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 123.404 0.682 . . . . 0.0 111.88 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.58 -43.49 69.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.97 1.308 . . . . 0.0 111.886 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.11 -11.39 60.73 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -170.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.58 -5.06 13.42 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.907 1.283 . . . . 0.0 113.992 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -102.23 -36.65 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.834 1.254 . . . . 0.0 112.993 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -83.56 -18.13 39.39 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.598 1.159 . . . . 0.0 113.254 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -136.48 164.64 27.69 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.37 2.268 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.4 pt -59.89 152.81 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.524 0.73 . . . . 0.0 112.139 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 t -123.97 144.03 50.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.205 1.002 . . . . 0.0 113.567 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -156.55 173.35 17.05 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.138 0.975 . . . . 0.0 113.509 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.05 -37.41 66.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.874 1.67 . . . . 0.0 112.032 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -64.99 -29.57 70.5 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -80.27 -36.43 34.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.303 1.041 . . . . 0.0 111.136 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.24 -40.16 62.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.816 0.846 . . . . 0.0 112.368 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.72 -29.69 70.86 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.772 -1.205 . . . . 0.0 112.594 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -62.94 -37.3 86.51 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.534 -0.729 . . . . 0.0 111.221 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -74.2 -30.4 62.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 172.403 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -105.27 159.73 15.65 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.773 1.629 . . . . 0.0 110.452 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -133.97 141.63 47.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.194 1.398 . . . . 0.0 110.68 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.71 159.54 42.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.759 0.823 . . . . 0.0 111.438 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.3 -138.71 39.38 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.848 0.737 . . . . 0.0 113.318 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -64.32 -20.26 65.97 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -68.67 -38.94 80.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.856 1.207 . . . . 0.0 111.52 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.51 -43.32 85.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.33 1.052 . . . . 0.0 110.746 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.408 0.683 . . . . 0.0 111.31 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.85 -43.24 84.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.189 0.904 . . . . 0.0 112.018 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.49 98.77 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.786 -0.572 . . . . 0.0 111.666 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.91 -42.23 97.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.899 0.88 . . . . 0.0 111.944 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.09 -43.89 91.86 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.434 1.094 . . . . 0.0 111.748 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.59 -34.26 71.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.303 1.041 . . . . 0.0 112.805 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.48 -39.47 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.868 0.867 . . . . 0.0 111.863 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.57 -23.9 58.83 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.25 0.62 . . . . 0.0 112.64 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.94 36.17 91.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.05 0.833 . . . . 0.0 113.664 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 60.31 21.05 10.54 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.053 1.741 . . . . 0.0 114.705 -174.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.25 -7.02 47.08 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.715 -1.241 . . . . 0.0 114.308 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.09 131.33 6.69 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.159 1.837 . . . . 0.0 113.106 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 126.679 1.992 . . . . 0.0 110.456 177.64 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.85 -25.07 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.946 0.899 . . . . 0.0 113.094 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.96 -41.77 18.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.43 0.692 . . . . 0.0 111.406 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -55.06 -47.44 74.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.841 0.857 . . . . 0.0 113.197 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -88.37 -7.12 57.18 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.69 -37.11 13.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.842 0.857 . . . . 0.0 111.996 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -89.0 -20.48 24.36 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.04 174.24 10.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.562 1.545 . . . . 0.0 112.606 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.83 138.84 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.645 1.578 . . . . 0.0 113.018 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m -139.28 156.5 47.01 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -153.38 -175.94 5.57 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.531 1.932 . . . . 0.0 109.932 169.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -45.73 -42.6 12.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.486 1.915 . . . . 0.0 113.544 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -65.8 -23.1 66.63 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -94.57 -31.47 13.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.398 1.079 . . . . 0.0 112.402 170.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.69 -40.3 72.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.599 0.76 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.9 -26.33 62.03 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.13 -0.982 . . . . 0.0 112.967 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.83 -29.93 67.27 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.539 1.136 . . . . 0.0 112.744 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -82.07 -14.49 55.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.795 0.838 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 124.174 0.99 . . . . 0.0 113.338 174.462 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -117.57 152.0 36.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.332 1.853 . . . . 0.0 109.849 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.2 mt -139.34 142.87 37.61 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.361 1.464 . . . . 0.0 110.264 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.31 155.63 46.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.864 0.866 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.97 -139.16 49.0 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 123.599 0.619 . . . . 0.0 112.715 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -64.71 -26.06 68.21 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -69.93 -28.71 65.8 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.497 1.044 . . . . 0.0 112.875 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.3 tp -71.41 -36.24 71.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.621 0.768 . . . . 0.0 111.329 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.63 -46.79 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.441 0.696 . . . . 0.0 110.74 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.45 -41.7 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.179 1.392 . . . . 0.0 112.422 176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.74 89.53 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.56 -0.713 . . . . 0.0 111.949 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.98 -41.46 99.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.832 0.853 . . . . 0.0 112.337 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -60.35 -42.57 96.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.929 1.692 . . . . 0.0 111.919 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.53 -32.73 48.13 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.443 1.097 . . . . 0.0 113.302 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.29 -46.03 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 111.509 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -19.59 36.61 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.96 57.62 4.01 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.688 1.137 . . . . 0.0 112.702 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 61.76 18.42 9.66 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.556 1.542 . . . . 0.0 114.364 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.31 59.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 135.8 2.22 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.392 1.472 . . . . 0.0 111.82 -169.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 125.438 1.495 . . . . 0.0 112.221 -170.302 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.46 -45.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.87 -44.68 96.33 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.161 0.891 . . . . 0.0 112.051 -172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -57.46 -32.54 67.05 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.153 0.981 . . . . 0.0 112.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -90.92 -8.57 48.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 114.458 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -97.8 -42.63 7.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 111.843 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -82.42 -21.97 35.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.122 0.969 . . . . 0.0 113.181 178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -143.4 179.49 7.07 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.164 1.786 . . . . 0.0 110.731 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 pt -80.66 149.09 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.885 1.274 . . . . 0.0 112.411 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.14 126.69 26.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.509 1.123 . . . . 0.0 112.136 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -70.57 161.01 31.44 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.062 0.945 . . . . 0.0 111.351 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.68 -32.95 63.69 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.667 0.787 . . . . 0.0 111.052 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -64.91 -30.06 71.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.283 1.033 . . . . 0.0 113.062 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -77.02 -36.33 56.36 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.204 1.002 . . . . 0.0 110.97 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.11 -33.11 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.988 0.515 . . . . 0.0 112.255 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.87 -30.31 70.78 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.707 -1.246 . . . . 0.0 112.862 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.6 -24.52 66.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.181 -0.95 . . . . 0.0 111.853 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -89.02 -23.34 22.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.573 1.149 . . . . 0.0 112.696 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.472 0.646 0 CA-C-N 118.907 0.776 . . . . 0.0 111.551 168.692 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 CA--C 1.542 0.644 0 CA-C-O 121.264 0.554 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -125.44 143.73 50.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.247 1.819 . . . . 0.0 110.219 172.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -140.54 150.87 44.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.314 1.446 . . . . 0.0 110.851 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.8 m -127.63 155.47 43.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.355 1.062 . . . . 0.0 111.681 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.98 46.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.918 0.771 . . . . 0.0 113.763 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -63.36 -23.39 67.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -65.11 -40.09 94.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.317 0.962 . . . . 0.0 111.377 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.74 -42.34 82.0 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.377 0.671 . . . . 0.0 111.367 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.87 -39.86 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.905 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.17 -40.94 90.87 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.064 0.847 . . . . 0.0 112.661 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.28 99.73 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.132 0.878 . . . . 0.0 112.027 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.6 -44.68 89.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 110.479 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.86 -46.43 87.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.215 1.406 . . . . 0.0 112.097 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.89 -30.7 70.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.569 1.147 . . . . 0.0 112.583 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.56 -42.15 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.147 0.979 . . . . 0.0 111.655 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 40.0 m -68.26 -33.79 75.02 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 0.958 . . . . 0.0 112.659 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.42 50.59 31.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.252 0.929 . . . . 0.0 113.244 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 64.53 11.11 6.36 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -21.0 64.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 138.68 6.33 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.782 1.658 . . . . 0.0 113.445 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 126.555 1.942 . . . . 0.0 110.973 -174.457 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.45 -29.53 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.85 -35.47 19.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.676 -0.678 . . . . 0.0 112.799 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -66.31 -38.93 88.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.175 1.352 . . . . 0.0 113.342 -171.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 m -80.89 -19.47 44.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.278 1.031 . . . . 0.0 113.445 173.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.58 -34.65 23.14 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.392 0.677 . . . . 0.0 112.428 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -97.17 -14.7 21.29 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.812 1.645 . . . . 0.0 114.001 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -144.0 -177.05 5.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.414 1.486 . . . . 0.0 111.821 171.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 pt -67.04 139.89 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.829 0.823 . . . . 0.0 112.13 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 t -101.5 160.78 14.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.998 1.319 . . . . 0.0 111.264 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.84 161.6 38.36 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.142 -0.974 . . . . 0.0 112.269 171.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.45 -33.82 55.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.172 1.389 . . . . 0.0 111.999 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -64.8 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 112.956 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -75.08 -38.63 61.22 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.446 0.698 . . . . 0.0 110.909 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.32 -43.16 98.57 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.718 0.69 . . . . 0.0 111.347 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.98 -33.43 74.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.777 -1.202 . . . . 0.0 112.227 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.41 -29.7 70.42 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.287 -0.883 . . . . 0.0 113.034 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.33 -18.71 51.97 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.861 0.864 . . . . 0.0 113.294 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 124.586 1.155 . . . . 0.0 112.46 174.375 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -87.92 159.67 18.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.362 1.465 . . . . 0.0 109.982 169.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.6 mt -139.98 130.77 25.92 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.013 1.725 . . . . 0.0 109.93 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -139.51 157.59 45.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 111.613 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.2 -137.29 49.54 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.695 0.664 . . . . 0.0 113.028 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -65.1 -21.13 66.76 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -67.5 -37.41 82.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.966 1.257 . . . . 0.0 111.775 174.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.28 -39.4 78.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.289 1.036 . . . . 0.0 111.122 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.96 -41.1 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.496 0.718 . . . . 0.0 111.393 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.05 -41.31 95.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.928 0.891 . . . . 0.0 111.854 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.87 99.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.445 -0.785 . . . . 0.0 112.0 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.84 -40.82 96.65 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.657 0.783 . . . . 0.0 112.011 174.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -43.54 98.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 111.539 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.51 -31.09 68.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.803 0.841 . . . . 0.0 112.936 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -77.9 -34.92 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.141 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -5.85 13.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.988 1.267 . . . . 0.0 114.413 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.27 -66.45 0.73 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.426 2.441 . . . . 0.0 114.673 171.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -149.4 -3.26 0.42 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.429 1.892 . . . . 0.0 113.657 -169.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.93 -24.24 67.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.209 1.404 . . . . 0.0 114.751 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.73 136.24 3.43 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.806 1.193 . . . . 0.0 111.004 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 124.203 1.001 . . . . 0.0 112.957 -168.42 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.301 9.0 tp . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -116.46 -23.38 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.887 1.675 . . . . 0.0 113.527 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.91 -43.12 96.88 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.685 -0.635 . . . . 0.0 112.489 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -62.66 -30.99 71.79 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -94.23 -10.47 32.88 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.64 -38.68 9.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.823 1.249 . . . . 0.0 112.181 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.4 -19.51 26.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.805 1.242 . . . . 0.0 113.563 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -143.82 -177.42 5.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.198 1.799 . . . . 0.0 110.833 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -87.61 147.41 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.373 1.069 . . . . 0.0 113.487 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -137.63 127.73 25.96 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.929 1.691 . . . . 0.0 113.422 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.6 p -80.86 174.69 11.37 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.234 1.414 . . . . 0.0 111.453 167.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.98 -34.96 72.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.544 -0.722 . . . . 0.0 111.008 169.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.92 -32.57 72.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.434 1.093 . . . . 0.0 112.654 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -76.41 -18.74 58.68 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.14 -36.14 21.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.555 1.142 . . . . 0.0 111.317 170.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.31 -21.69 50.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.058 1.343 . . . . 0.0 112.474 169.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.68 -30.84 45.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.553 170.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -98.16 -32.8 11.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.952 1.301 . . . . 0.0 112.845 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -132.35 142.75 49.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.492 1.517 . . . . 0.0 110.246 171.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -146.17 149.32 33.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.908 1.683 . . . . 0.0 110.027 -170.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.93 159.38 42.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.352 0.661 . . . . 0.0 111.613 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.18 -143.43 45.94 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.601 0.62 . . . . 0.0 113.193 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -61.22 -23.32 65.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -66.91 -38.71 86.74 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.387 0.994 . . . . 0.0 111.735 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -71.54 -39.96 70.37 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.832 0.853 . . . . 0.0 111.031 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.1 -43.86 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.586 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.86 -44.78 92.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.096 0.862 . . . . 0.0 112.74 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.71 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.047 0.84 . . . . 0.0 111.854 174.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.1 -37.03 85.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.642 0.777 . . . . 0.0 111.742 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.89 -45.12 94.02 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.461 1.104 . . . . 0.0 111.628 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.82 -33.49 74.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.927 0.891 . . . . 0.0 112.709 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.01 -42.28 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 111.194 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.54 -25.79 61.51 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.027 -1.046 . . . . 0.0 113.172 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 42.47 97.44 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 120.126 1.33 . . . . 0.0 113.904 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 62.41 15.91 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -68.95 -14.21 62.9 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.689 -1.257 . . . . 0.0 113.869 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 134.38 5.12 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.013 1.768 . . . . 0.0 113.676 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 125.961 1.704 . . . . 0.0 111.249 -178.523 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.99 -28.87 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -89.82 -50.9 5.78 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.004 0.521 . . . . 0.0 111.069 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.5 -31.46 70.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.25 -1.88 40.91 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.952 0.901 . . . . 0.0 113.096 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -97.75 -50.72 4.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.782 1.233 . . . . 0.0 110.65 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -84.35 -14.73 48.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 113.861 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -148.43 -171.63 3.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.973 1.709 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.0 pt -92.21 152.99 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.98 1.712 . . . . 0.0 112.173 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.7 m -137.31 139.83 41.13 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.347 1.059 . . . . 0.0 112.224 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 p -85.78 164.2 17.72 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.37 1.068 . . . . 0.0 112.395 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.51 -31.07 72.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.439 -0.788 . . . . 0.0 111.955 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -75.59 -34.97 60.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.601 1.16 . . . . 0.0 111.777 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.44 -30.52 69.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.122 0.969 . . . . 0.0 111.557 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.25 -30.96 43.4 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.49 -21.67 65.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.738 1.153 . . . . 0.0 113.497 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -56.22 -29.7 61.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.327 1.051 . . . . 0.0 112.669 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -93.74 -6.21 46.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.811 1.245 . . . . 0.0 113.598 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 0.0 113.997 170.797 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.08 155.05 18.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.105 1.362 . . . . 0.0 109.827 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.84 -89.17 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.445 1.098 . . . . 0.0 111.591 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 61.92 174.01 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.177 2.591 . . . . 0.0 113.935 -171.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.83 -137.43 46.27 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.153 -0.967 . . . . 0.0 113.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -76.63 -19.17 58.09 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -60.99 -35.94 78.15 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.93 1.241 . . . . 0.0 111.313 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.04 -38.02 89.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.771 1.628 . . . . 0.0 112.392 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.61 -41.34 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.243 1.017 . . . . 0.0 110.986 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.98 -42.53 84.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.444 1.098 . . . . 0.0 112.651 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.56 96.84 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.731 -0.606 . . . . 0.0 111.711 174.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -46.1 91.35 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.106 0.962 . . . . 0.0 110.683 174.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -48.24 78.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.721 1.208 . . . . 0.0 111.557 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.55 -33.15 72.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.391 1.076 . . . . 0.0 112.991 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 t -67.77 -43.23 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.192 0.997 . . . . 0.0 111.346 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.0 m -69.03 -44.3 72.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.782 0.719 . . . . 0.0 112.577 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.04 50.23 5.96 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.461 1.029 . . . . 0.0 112.922 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 59.4 32.45 21.82 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.536 1.534 . . . . 0.0 113.701 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.64 -16.55 59.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 0.0 114.764 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 117.11 0.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.455 1.503 . . . . 0.0 109.957 -167.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 124.286 1.035 . . . . 0.0 112.73 -169.047 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -37.19 -47.56 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 127.383 2.273 . . . . 0.0 115.159 -173.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -70.0 -21.01 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.23 -28.72 17.63 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.995 0.816 . . . . 0.0 112.759 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.58 -35.42 80.93 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -169.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.22 -12.64 17.86 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.8 t -83.27 -41.76 17.95 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.392 -0.817 . . . . 0.0 111.42 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -94.13 -19.06 21.15 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.146 1.379 . . . . 0.0 113.955 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -142.67 -174.75 4.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.407 1.883 . . . . 0.0 110.859 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 pt -88.76 151.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.259 1.023 . . . . 0.0 112.847 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 p -141.66 152.24 43.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -122.74 174.36 7.16 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.742 2.017 . . . . 0.0 110.971 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.39 -36.74 66.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.089 -1.007 . . . . 0.0 111.769 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -64.59 -25.5 67.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.53 1.132 . . . . 0.0 113.371 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -85.14 -33.69 22.29 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.53 1.132 . . . . 0.0 111.568 172.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.82 -36.64 84.56 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.477 1.035 . . . . 0.0 111.888 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.16 -11.98 17.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 174.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -67.95 -24.64 65.19 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.128 -0.982 . . . . 0.0 112.566 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.72 -6.42 23.73 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.805 1.242 . . . . 0.0 113.453 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.84 156.57 1.43 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.274 1.43 . . . . 0.0 111.738 168.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -59.19 148.75 30.48 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.283 1.833 . . . . 0.0 112.064 170.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 C-N-CA 125.654 1.597 . . . . 0.0 112.45 -176.48 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.7 p90 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.279 0.085 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -50.85 138.15 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.583 1.553 . . . . 0.0 114.321 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -87.97 22.84 2.24 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -78.74 144.46 35.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.522 1.129 . . . . 0.0 113.331 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -111.82 146.22 38.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.805 1.642 . . . . 0.0 109.652 168.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -141.22 138.19 33.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.064 1.746 . . . . 0.0 109.649 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.86 156.08 46.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.926 0.89 . . . . 0.0 110.889 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.34 -136.38 50.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.47 0.557 . . . . 0.0 113.497 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.7 p -63.4 -23.83 67.58 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -67.29 -37.74 83.88 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.35 0.977 . . . . 0.0 111.528 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.8 -38.85 70.2 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.355 1.062 . . . . 0.0 111.484 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.59 -43.09 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-O 118.902 -0.57 . . . . 0.0 110.998 171.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.29 -39.92 93.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.775 1.17 . . . . 0.0 112.522 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.0 89.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.196 -0.94 . . . . 0.0 111.881 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.94 -35.41 80.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.489 0.716 . . . . 0.0 112.291 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.85 -38.78 92.16 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.856 -1.153 . . . . 0.0 111.225 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.88 -35.78 59.75 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.882 -1.136 . . . . 0.0 113.112 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.89 -30.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.071 0.948 . . . . 0.0 111.927 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -135.42 -12.11 2.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 -169.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.08 -18.49 54.91 Favored Glycine 0 N--CA 1.479 1.515 0 CA-C-N 120.75 1.614 . . . . 0.0 115.495 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -88.96 -9.69 50.5 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.015 1.326 . . . . 0.0 113.33 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -112.55 -19.78 11.98 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.494 2.318 . . . . 0.0 113.02 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.74 156.22 32.36 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.779 2.133 . . . . 0.0 111.628 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.52 165.48 36.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.483 1.113 . . . . 0.0 112.957 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -113.88 120.29 40.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.366 1.466 . . . . 0.0 110.36 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -108.85 -6.11 15.93 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.229 1.412 . . . . 0.0 113.574 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -67.85 149.52 98.19 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 125.297 1.439 . . . . 0.0 111.466 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -62.38 -30.37 80.51 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.926 2.417 . . . . 0.0 113.587 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -153.65 150.41 28.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.218 1.807 . . . . 0.0 109.728 167.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -141.62 -176.34 4.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.406 1.882 . . . . 0.0 110.102 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -77.76 41.9 0.36 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.586 1.954 . . . . 0.0 112.855 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 127.968 2.507 . . . . 0.0 110.9 -178.463 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 CA-C-O 119.104 -0.831 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp -49.1 -39.45 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 127.094 2.157 . . . . 0.0 114.553 -173.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -102.19 -40.03 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.164 0.986 . . . . 0.0 112.617 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.61 -28.17 45.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.55 -20.34 66.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.206 0.912 . . . . 0.0 112.978 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -102.72 -24.57 13.73 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.83 1.252 . . . . 0.0 114.24 170.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.02 -30.67 16.66 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.645 0.778 . . . . 0.0 113.095 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -105.09 -18.14 14.25 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.178 1.391 . . . . 0.0 113.541 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.03 162.12 35.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.969 2.108 . . . . 0.0 110.613 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -71.47 146.29 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.716 -0.615 . . . . 0.0 111.93 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 p -141.8 157.23 45.27 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.7 p -105.79 165.46 11.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.43 -33.1 72.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.791 0.837 . . . . 0.0 110.843 169.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -66.45 -34.27 77.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.711 0.804 . . . . 0.0 112.494 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -73.56 -36.05 65.57 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.418 -0.801 . . . . 0.0 112.048 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.27 -37.49 87.66 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.443 -0.786 . . . . 0.0 111.74 171.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.44 -29.14 68.53 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.847 -1.158 . . . . 0.0 113.098 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.31 -33.05 72.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.127 -0.983 . . . . 0.0 111.901 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.64 -36.17 70.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.222 0.609 . . . . 0.0 112.114 170.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.07 -43.41 82.7 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.71 1.204 . . . . 0.0 112.783 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 62.85 159.71 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.185 2.194 . . . . 0.0 114.262 -168.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 C-N-CA 125.249 1.404 . . . . 0.0 113.039 -174.775 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.56 0.219 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.4 t -72.96 125.83 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.11 0.964 . . . . 0.0 109.923 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -101.0 20.12 16.12 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -168.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -85.5 143.5 28.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.125 0.97 . . . . 0.0 113.156 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -109.78 132.1 54.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.806 1.643 . . . . 0.0 109.497 167.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.59 133.56 24.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.254 1.422 . . . . 0.0 110.694 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.28 160.51 40.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.269 1.027 . . . . 0.0 110.985 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -137.92 45.36 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.404 0.526 . . . . 0.0 113.134 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -64.87 -23.06 67.12 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -65.24 -40.25 93.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.635 1.107 . . . . 0.0 111.351 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.87 -43.84 78.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.922 0.889 . . . . 0.0 110.926 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.52 -44.72 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.451 0.569 . . . . 0.0 111.007 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.69 -41.72 92.06 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.097 0.862 . . . . 0.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.17 97.01 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.45 -0.781 . . . . 0.0 111.55 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.59 -41.52 94.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.424 1.09 . . . . 0.0 110.855 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.45 -49.4 77.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.424 1.09 . . . . 0.0 111.959 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.64 -32.8 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.681 0.792 . . . . 0.0 112.758 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.05 -38.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.931 0.892 . . . . 0.0 112.053 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -75.08 -31.31 61.18 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.234 1.013 . . . . 0.0 112.39 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.22 36.89 93.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.479 0.562 . . . . 0.0 113.189 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 62.35 25.05 14.95 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.011 1.724 . . . . 0.0 115.586 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -64.42 -16.55 62.58 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.453 1.101 . . . . 0.0 113.188 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.96 121.54 3.61 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 126.495 1.998 . . . . 0.0 112.69 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -152.24 159.99 43.44 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 112.142 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -98.49 -32.8 11.28 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.292 1.589 . . . . 0.0 115.292 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.5 p90 44.76 1.46 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 m -59.13 126.7 82.4 Favored Pre-proline 0 N--CA 1.475 0.787 0 CA-C-N 120.152 1.342 . . . . 0.0 111.752 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.82 106.23 1.95 Allowed 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.247 2.631 . . . . 0.0 110.79 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -137.9 161.69 35.98 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.09 1.756 . . . . 0.0 111.742 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -94.0 4.44 53.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.804 1.642 . . . . 0.0 114.526 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.0 -1.52 13.06 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.696 1.598 . . . . 0.0 114.298 -169.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.248 0.985 0 C-N-CA 127.251 2.22 . . . . 0.0 110.583 175.627 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.791 -0.124 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -42.87 -46.17 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.715 2.406 . . . . 0.0 115.877 -169.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -80.73 -19.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.16 -33.6 19.34 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.499 -0.751 . . . . 0.0 112.44 -172.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.25 -22.14 64.78 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -172.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.2 m -100.35 -20.8 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.357 1.463 . . . . 0.0 113.737 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.4 t -93.16 -37.7 11.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.919 0.888 . . . . 0.0 113.34 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -86.43 -23.15 26.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.343 1.057 . . . . 0.0 113.358 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -152.07 176.2 11.77 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.596 1.958 . . . . 0.0 109.483 171.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -75.15 147.12 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.366 -0.834 . . . . 0.0 112.266 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -133.78 168.14 19.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.907 1.283 . . . . 0.0 112.536 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -110.89 163.93 13.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.083 1.353 . . . . 0.0 114.32 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.61 -27.02 57.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.448 0.699 . . . . 0.0 112.547 169.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.73 -30.45 68.07 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.237 -0.914 . . . . 0.0 112.357 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -74.83 -34.9 62.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.245 1.018 . . . . 0.0 111.427 171.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.33 -38.25 81.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.4 -24.16 67.54 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.467 -1.395 . . . . 0.0 113.147 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.92 -35.63 69.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.197 -0.939 . . . . 0.0 112.211 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.33 -21.69 61.29 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.354 -0.841 . . . . 0.0 112.763 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -78.69 -1.29 33.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.239 1.816 . . . . 0.0 113.553 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.88 137.86 54.21 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.261 -1.525 . . . . 0.0 111.795 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 C-N-CA 125.318 1.437 . . . . 0.0 113.106 177.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.583 0.23 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -83.68 139.88 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.33 1.052 . . . . 0.0 112.335 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -85.88 40.49 0.86 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.472 1.509 . . . . 0.0 112.927 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -93.58 96.6 9.96 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.472 1.109 . . . . 0.0 113.948 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -92.06 114.98 27.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.733 1.613 . . . . 0.0 109.072 167.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.57 135.81 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.189 1.396 . . . . 0.0 110.013 173.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.04 157.96 44.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.943 0.897 . . . . 0.0 111.123 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 -136.42 49.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.88 0.752 . . . . 0.0 113.325 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.9 p -63.48 -23.0 67.21 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -70.41 -34.02 72.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.6 1.091 . . . . 0.0 111.671 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.94 -39.8 69.16 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.15 0.98 . . . . 0.0 111.48 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.91 -45.04 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.65 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.56 -47.41 81.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.909 0.884 . . . . 0.0 112.577 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.16 89.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.026 0.83 . . . . 0.0 111.945 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.01 -39.71 93.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.023 0.929 . . . . 0.0 112.547 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.15 -43.99 98.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.292 1.037 . . . . 0.0 110.842 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.26 -38.15 68.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.466 1.106 . . . . 0.0 113.022 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.97 -38.26 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 118.829 0.741 . . . . 0.0 111.764 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.59 -23.58 45.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.308 1.043 . . . . 0.0 113.155 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.42 32.71 85.09 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.114 0.864 . . . . 0.0 113.186 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 58.42 23.9 11.15 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.062 1.745 . . . . 0.0 114.876 -172.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -27.23 68.28 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.483 -1.386 . . . . 0.0 112.943 173.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.46 121.68 2.6 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 126.711 2.1 . . . . 0.0 111.982 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -140.87 159.97 41.07 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.07 -48.79 80.26 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.96 -1.087 . . . . 0.0 113.043 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.7 19.49 0.11 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -48.43 116.25 4.91 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 125.149 1.38 . . . . 0.0 111.909 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -78.4 148.46 23.65 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.997 2.465 . . . . 0.0 113.099 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -89.82 19.43 4.78 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.778 1.631 . . . . 0.0 113.467 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p -69.12 165.64 19.91 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.182 1.793 . . . . 0.0 112.591 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -63.85 116.09 5.46 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.778 0.831 . . . . 0.0 110.058 172.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.781 2.032 . . . . 0.0 111.499 -169.694 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt -34.79 -55.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 127.126 2.171 . . . . 0.0 114.893 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.3 -15.23 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.19 -33.84 13.14 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.517 1.127 . . . . 0.0 112.337 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.06 -38.79 80.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.146 0.885 . . . . 0.0 112.56 -171.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.25 -13.71 21.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.709 1.204 . . . . 0.0 113.815 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.35 -34.42 17.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.14 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.1 p -92.36 -17.76 24.23 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.215 1.406 . . . . 0.0 114.185 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -148.62 174.11 12.48 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.409 1.483 . . . . 0.0 111.273 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 pt -78.36 145.37 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.005 0.922 . . . . 0.0 112.674 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.05 152.97 48.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.574 1.55 . . . . 0.0 112.796 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 p -112.36 176.13 5.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.233 2.213 . . . . 0.0 111.354 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 mt -54.68 -36.5 64.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.521 0.728 . . . . 0.0 111.486 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.06 -33.11 61.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.064 1.345 . . . . 0.0 112.29 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -69.94 -27.67 64.94 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.619 -0.676 . . . . 0.0 112.159 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.57 -37.7 49.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.569 0.748 . . . . 0.0 112.339 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.15 -26.63 51.13 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.844 -1.16 . . . . 0.0 113.219 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -53.15 -30.57 37.71 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.77 1.628 . . . . 0.0 113.371 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -96.64 -0.72 48.08 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 113.142 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -99.23 -33.12 10.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.517 1.527 . . . . 0.0 111.473 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -153.06 131.13 11.86 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.011 1.324 . . . . 0.0 110.985 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.078 1.323 . . . . 0.0 113.174 178.117 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.11 130.87 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.801 1.641 . . . . 0.0 109.565 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -70.68 109.49 4.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -137.58 161.42 36.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.769 1.228 . . . . 0.0 114.105 -167.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -76.42 139.76 41.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.648 1.179 . . . . 0.0 111.73 171.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -144.14 135.55 25.73 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.722 2.009 . . . . 0.0 110.142 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -142.36 159.42 42.27 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.997 0.919 . . . . 0.0 111.218 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.43 -139.23 44.91 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.606 0.622 . . . . 0.0 113.173 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -66.62 -19.14 65.7 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -66.99 -37.86 84.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.912 1.233 . . . . 0.0 111.668 174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -67.39 -40.37 85.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.367 1.067 . . . . 0.0 111.057 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.68 -42.96 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.525 0.73 . . . . 0.0 111.44 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -66.05 -43.48 87.35 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.928 0.785 . . . . 0.0 112.244 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.83 98.71 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.596 -0.69 . . . . 0.0 111.52 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.1 -39.24 91.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.458 0.703 . . . . 0.0 111.799 172.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -62.44 -42.9 99.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.356 0.98 . . . . 0.0 111.659 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.46 -35.75 75.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.196 0.999 . . . . 0.0 112.732 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.8 -44.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.223 1.009 . . . . 0.0 111.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -78.04 -26.59 48.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.782 0.833 . . . . 0.0 112.985 -175.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.55 64.93 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.046 1.308 . . . . 0.0 115.273 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.86 20.58 9.49 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.072 1.749 . . . . 0.0 115.528 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -21.28 64.14 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.684 -1.26 . . . . 0.0 112.859 169.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.3 127.46 3.76 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.5 2.0 . . . . 0.0 112.094 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -75.81 156.89 34.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.165 1.386 . . . . 0.0 112.506 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -116.72 -0.72 12.27 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.893 2.077 . . . . 0.0 112.88 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 29.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.685 2.394 . . . . 0.0 116.974 -173.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.9 m -47.73 131.55 11.18 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 127.869 2.467 . . . . 0.0 112.71 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -62.73 132.81 39.1 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.797 2.331 . . . . 0.0 111.154 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 56.34 16.76 2.54 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.111 1.764 . . . . 0.0 114.836 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.296 3.6 t 49.84 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.997 2.519 . . . . 0.0 114.992 -173.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -65.54 142.71 58.02 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.332 1.453 . . . . 0.0 110.53 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.599 1.56 . . . . 0.0 112.249 -175.843 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 N-CA-C 112.617 -0.193 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -44.28 -60.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 127.16 2.184 . . . . 0.0 113.71 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -77.93 -9.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -93.63 -37.78 11.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.146 1.379 . . . . 0.0 111.079 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -70.06 -26.71 64.14 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 m -93.22 -15.04 26.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 170.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.4 t -92.41 -33.51 14.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.968 0.907 . . . . 0.0 112.805 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -98.58 -18.77 17.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.535 1.534 . . . . 0.0 113.753 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 m -138.04 158.08 45.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.175 2.19 . . . . 0.0 109.539 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 pt -60.81 140.09 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.652 -0.655 . . . . 0.0 112.561 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.92 164.73 17.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.606 1.162 . . . . 0.0 112.528 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 t -152.68 144.77 23.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.387 1.075 . . . . 0.0 111.109 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -53.59 -32.45 51.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.631 1.173 . . . . 0.0 111.714 171.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -74.21 -33.64 63.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.65 0.78 . . . . 0.0 112.398 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -77.68 -32.53 53.18 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.822 -0.549 . . . . 0.0 111.756 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.35 -43.23 98.3 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.336 -0.853 . . . . 0.0 110.876 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.15 -33.29 74.22 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.451 -1.405 . . . . 0.0 112.787 170.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.24 -38.6 91.81 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.387 -0.82 . . . . 0.0 111.027 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -70.38 -32.42 70.07 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.326 -0.858 . . . . 0.0 112.487 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.6 m -66.67 -40.59 88.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.882 0.765 . . . . 0.0 112.154 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -90.86 -36.43 14.2 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -169.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 C-N-CA 125.828 1.68 . . . . 0.0 112.029 176.318 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.664 0.268 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.63 133.31 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.634 1.173 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.23 58.97 2.17 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.502 1.521 . . . . 0.0 113.267 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -123.4 151.78 42.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.326 1.45 . . . . 0.0 113.285 -174.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -81.5 153.23 26.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.201 1.4 . . . . 0.0 111.873 169.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -138.67 136.76 36.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.028 1.731 . . . . 0.0 109.482 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -145.37 159.68 42.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.723 0.809 . . . . 0.0 111.426 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.55 -141.03 42.48 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.754 0.692 . . . . 0.0 113.17 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.6 p -64.19 -22.6 67.0 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -64.92 -40.85 95.7 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.57 1.077 . . . . 0.0 111.303 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.26 -40.8 74.16 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.783 0.833 . . . . 0.0 111.517 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.11 -43.7 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.108 0.563 . . . . 0.0 110.717 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.92 -42.9 89.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.237 0.926 . . . . 0.0 112.164 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.37 97.97 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.444 -0.785 . . . . 0.0 111.7 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.23 -40.78 98.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.765 0.826 . . . . 0.0 111.735 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.26 -42.82 92.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.034 0.934 . . . . 0.0 111.82 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.88 -34.07 68.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.506 1.122 . . . . 0.0 113.049 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.33 -39.65 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.709 0.803 . . . . 0.0 112.218 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -74.8 -36.04 62.47 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.224 0.92 . . . . 0.0 111.679 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.27 55.63 5.57 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.21 0.909 . . . . 0.0 113.282 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.35 37.33 25.9 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.941 1.296 . . . . 0.0 113.473 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.56 -12.41 60.21 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -170.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.07 32.87 30.85 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.878 0.751 . . . . 0.0 113.072 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -72.58 172.38 10.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.268 1.827 . . . . 0.0 112.425 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.01 132.08 46.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.068 1.347 . . . . 0.0 110.793 169.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -84.77 -18.05 36.3 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.861 0.864 . . . . 0.0 112.836 173.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.7 m -60.96 137.8 93.92 Favored Pre-proline 0 N--CA 1.473 0.695 0 C-N-CA 124.554 1.142 . . . . 0.0 110.598 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.58 135.36 55.5 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.207 2.605 . . . . 0.0 113.135 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -14.65 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.52 1.128 . . . . 0.0 113.524 -169.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -83.82 156.18 22.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.764 1.626 . . . . 0.0 112.782 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -144.57 144.41 31.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.671 1.588 . . . . 0.0 111.018 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.178 1.791 . . . . 0.0 111.423 177.579 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 CA-C-O 121.065 0.258 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.26 -52.54 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.49 1.916 . . . . 0.0 114.733 -172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -73.23 -29.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -74.6 -27.78 60.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.026 0.931 . . . . 0.0 112.25 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -52.34 -32.15 36.84 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.774 1.63 . . . . 0.0 113.273 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 -17.58 8.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -87.78 -18.8 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.552 1.069 . . . . 0.0 113.335 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -132.49 -41.18 0.97 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.458 1.103 . . . . 0.0 111.504 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.5 m -83.71 176.44 8.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.278 1.031 . . . . 0.0 110.202 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 pt -102.76 139.5 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.476 1.11 . . . . 0.0 111.358 170.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.69 151.96 32.76 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -171.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 p -110.72 162.4 14.8 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.381 1.472 . . . . 0.0 113.217 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.27 -34.79 74.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.518 0.727 . . . . 0.0 110.823 170.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.97 -33.85 76.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.006 0.922 . . . . 0.0 112.416 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -73.64 -38.1 65.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.177 0.991 . . . . 0.0 111.762 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.03 -32.58 74.14 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.203 -0.935 . . . . 0.0 112.434 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.89 -30.54 71.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.687 0.795 . . . . 0.0 112.862 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -66.23 -26.93 67.6 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.284 0.947 . . . . 0.0 112.464 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.15 -8.34 53.89 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.343 1.057 . . . . 0.0 113.825 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.29 150.01 49.5 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.987 -1.071 . . . . 0.0 112.33 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 11.99 3.11 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 126.542 1.937 . . . . 0.0 115.618 -174.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.138 0 C-N-CA 125.062 1.315 . . . . 0.0 113.402 177.328 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 p90 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.26 -8.74 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -76.89 55.37 1.09 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 128.294 2.638 . . . . 0.0 111.947 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -135.27 150.64 50.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.735 1.614 . . . . 0.0 112.701 -170.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -119.01 153.07 35.27 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.916 1.286 . . . . 0.0 112.378 169.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.3 mt -156.8 150.28 24.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.891 2.476 . . . . 0.0 109.457 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -147.39 159.55 43.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.302 -0.873 . . . . 0.0 111.983 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.08 -136.07 50.92 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.927 0.775 . . . . 0.0 113.43 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -62.26 -22.79 66.27 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -70.17 -36.41 74.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.816 1.189 . . . . 0.0 111.694 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -73.01 -37.84 66.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.095 0.958 . . . . 0.0 111.169 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.11 -42.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.757 -0.589 . . . . 0.0 111.347 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.52 -37.9 89.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.587 1.085 . . . . 0.0 112.31 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.08 94.38 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.384 -0.822 . . . . 0.0 111.857 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.07 -44.64 83.27 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.708 1.203 . . . . 0.0 110.539 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.04 -46.42 90.79 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.63 1.572 . . . . 0.0 112.096 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.6 -34.15 64.93 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.599 1.16 . . . . 0.0 112.665 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -74.16 -38.83 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.042 0.937 . . . . 0.0 111.643 175.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -70.79 -29.82 66.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.799 0.84 . . . . 0.0 111.964 173.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.29 45.62 8.69 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 124.746 1.165 . . . . 0.0 113.864 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 58.93 27.19 15.91 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.153 1.381 . . . . 0.0 113.954 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.02 -19.95 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.778 -1.202 . . . . 0.0 113.959 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 126.21 1.41 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.243 1.401 . . . . 0.0 111.094 -171.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -158.04 172.15 18.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.457 1.103 . . . . 0.0 112.301 -169.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.8 150.57 44.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.07 1.748 . . . . 0.0 108.76 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -79.94 53.32 1.66 Allowed 'General case' 0 CA--C 1.55 0.973 0 CA-C-O 123.114 1.435 . . . . 0.0 111.761 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.3 m -76.56 136.27 67.91 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 126.477 1.911 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -59.14 -38.41 86.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.829 2.353 . . . . 0.0 116.141 -174.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm 44.14 46.35 7.25 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.377 1.471 . . . . 0.0 113.512 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.0 m -58.54 136.25 57.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.234 1.414 . . . . 0.0 111.089 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -120.07 143.64 48.01 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.199 1.4 . . . . 0.0 112.246 -170.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.7 2.4 . . . . 0.0 113.366 -179.418 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -49.77 -41.51 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.551 1.14 . . . . 0.0 113.322 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.31 -21.83 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.285 1.434 . . . . 0.0 113.806 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.0 -50.46 5.09 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.649 1.179 . . . . 0.0 110.312 170.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 -31.45 72.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.628 0.974 . . . . 0.0 113.628 -169.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.6 m -95.81 -9.67 30.98 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -107.06 -40.43 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.834 0.854 . . . . 0.0 112.616 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -80.46 -17.55 51.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.23 1.012 . . . . 0.0 113.554 172.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -146.43 -179.69 6.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.087 1.755 . . . . 0.0 111.367 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.37 153.32 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.018 0.927 . . . . 0.0 113.467 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 m -135.55 156.57 48.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.752 1.621 . . . . 0.0 112.123 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -149.87 170.38 18.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.618 1.967 . . . . 0.0 109.931 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.84 -40.23 55.44 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.56 1.544 . . . . 0.0 112.439 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -65.32 -28.25 69.17 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -91.24 -29.66 17.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.309 1.044 . . . . 0.0 112.205 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.83 -37.39 87.45 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.201 -0.937 . . . . 0.0 111.089 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -25.71 67.08 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.649 -1.282 . . . . 0.0 112.976 170.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -67.01 -35.7 80.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.095 0.958 . . . . 0.0 112.268 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -78.02 -30.42 49.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.569 -0.707 . . . . 0.0 112.044 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.2 t -74.55 -32.28 62.38 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.125 1.37 . . . . 0.0 113.488 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -68.54 150.9 47.5 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.612 1.165 . . . . 0.0 112.386 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.085 1.326 . . . . 0.0 113.011 -179.19 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.73 6.87 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -60.13 98.91 0.06 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.325 1.85 . . . . 0.0 111.066 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -136.68 159.14 42.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.674 1.19 . . . . 0.0 113.625 -169.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -82.49 145.25 29.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.469 0.707 . . . . 0.0 110.321 169.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -140.83 153.84 45.95 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.206 2.202 . . . . 0.0 109.392 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 172.22 15.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.067 -1.021 . . . . 0.0 111.07 173.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.23 -136.85 49.4 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 121.791 -0.568 . . . . 0.0 112.663 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -74.68 -21.45 59.4 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -64.52 -33.27 75.51 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.454 1.479 . . . . 0.0 112.057 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.98 -32.93 74.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.019 1.728 . . . . 0.0 112.313 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.56 -36.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.258 1.023 . . . . 0.0 111.081 170.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.33 -37.12 84.62 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.547 1.139 . . . . 0.0 112.734 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.18 93.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.262 -0.899 . . . . 0.0 111.987 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -38.77 92.26 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.944 0.898 . . . . 0.0 110.793 170.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.42 -33.01 74.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.443 1.097 . . . . 0.0 112.938 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.04 -25.74 43.19 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.733 -1.229 . . . . 0.0 113.015 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.6 t -81.01 -35.58 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.37 1.068 . . . . 0.0 112.526 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 m -145.04 -3.49 0.76 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -171.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.33 -15.33 58.84 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.474 -1.391 . . . . 0.0 114.998 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.71 -24.8 44.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.973 0.887 . . . . 0.0 112.299 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -85.77 -37.75 18.97 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.433 1.493 . . . . 0.0 111.533 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.05 145.04 16.99 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.793 1.663 . . . . 0.0 112.351 -170.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -158.44 167.43 29.67 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.481 1.512 . . . . 0.0 111.611 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -144.15 141.0 29.71 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.04 1.336 . . . . 0.0 109.425 168.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -117.79 -7.36 10.98 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 80.1 m -93.02 116.75 67.0 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-N 119.515 1.052 . . . . 0.0 110.689 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.32 -11.97 20.9 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.331 2.687 . . . . 0.0 114.292 -171.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -71.72 -12.85 61.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.877 1.671 . . . . 0.0 114.125 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 152.34 38.03 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 167.3 27.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.85 1.66 . . . . 0.0 112.593 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.695 1.598 . . . . 0.0 113.696 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt -37.46 -57.17 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 127.333 2.253 . . . . 0.0 115.143 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 m -65.95 -14.58 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -104.0 -36.01 7.9 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 111.958 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.88 -34.0 72.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.669 1.187 . . . . 0.0 113.637 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.5 t -96.76 -12.93 23.04 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.065 1.346 . . . . 0.0 113.221 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -92.79 -41.69 9.97 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 0.0 113.334 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.73 -17.91 24.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.88 1.272 . . . . 0.0 113.911 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -138.09 165.68 26.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.497 1.919 . . . . 0.0 111.096 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.5 pt -66.01 149.95 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.05 154.94 43.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.887 1.275 . . . . 0.0 113.649 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -135.16 171.09 14.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.978 2.111 . . . . 0.0 111.821 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.56 -34.22 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.665 -0.647 . . . . 0.0 112.71 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -71.35 -32.06 68.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.602 0.761 . . . . 0.0 112.181 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -74.25 -37.25 63.84 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.552 0.741 . . . . 0.0 111.715 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.37 -43.69 76.84 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.98 0.912 . . . . 0.0 112.313 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.26 -21.7 49.55 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.941 -1.099 . . . . 0.0 113.958 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -65.13 -24.45 67.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.252 1.021 . . . . 0.0 112.982 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.95 -13.38 41.96 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.0 m -91.47 154.61 19.02 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.321 1.449 . . . . 0.0 114.574 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 52.17 -157.18 0.14 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.764 2.425 . . . . 0.0 113.986 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.215 0 C-N-CA 125.17 1.367 . . . . 0.0 112.86 -177.596 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.17 148.92 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.064 0.945 . . . . 0.0 113.169 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -76.85 84.31 3.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.527 1.131 . . . . 0.0 109.659 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -134.05 127.69 32.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.962 1.305 . . . . 0.0 112.339 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -115.61 153.72 30.75 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.353 1.861 . . . . 0.0 109.732 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.8 mt -139.6 144.09 37.59 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.885 1.274 . . . . 0.0 110.592 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -143.12 162.71 34.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.884 0.874 . . . . 0.0 111.254 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -139.31 48.63 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 123.514 0.578 . . . . 0.0 112.785 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.7 p -67.83 -20.72 65.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.68 -36.95 83.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.782 1.174 . . . . 0.0 111.7 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.16 -45.26 92.69 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.752 1.221 . . . . 0.0 110.938 173.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.09 -41.81 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.035 0.934 . . . . 0.0 111.165 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -66.26 -42.09 88.98 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.045 0.938 . . . . 0.0 111.615 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.67 99.7 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.171 0.442 . . . . 0.0 111.75 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.41 -41.4 93.83 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.849 0.75 . . . . 0.0 111.915 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -48.74 80.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.896 1.279 . . . . 0.0 111.706 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.66 -32.65 60.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.179 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.61 -43.83 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.301 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -87.9 -25.04 23.44 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.19 45.16 20.63 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.057 0.837 . . . . 0.0 113.446 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 56.59 47.28 18.82 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.395 1.478 . . . . 0.0 113.052 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -106.02 17.08 24.13 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 126.585 1.954 . . . . 0.0 114.069 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.65 132.34 1.73 Allowed Glycine 0 N--CA 1.469 0.863 0 C-N-CA 126.276 1.893 . . . . 0.0 112.999 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.35 169.14 22.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.543 1.537 . . . . 0.0 111.317 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -141.67 144.19 33.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.105 0.962 . . . . 0.0 111.222 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -129.79 11.24 5.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.896 1.278 . . . . 0.0 113.886 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m 49.84 59.12 17.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.409 1.883 . . . . 0.0 114.851 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.66 -13.68 32.61 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 123.078 2.519 . . . . 0.0 114.109 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.74 -29.31 64.39 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.102 1.361 . . . . 0.0 113.639 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 77.0 p -91.45 163.43 14.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 112.928 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -118.0 153.95 32.82 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.879 1.672 . . . . 0.0 111.634 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 52.7 ptt85 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.138 1.775 . . . . 0.0 112.509 178.562 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -55.16 -44.43 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 m -61.95 -24.06 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -94.98 -47.95 6.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.01 0.924 . . . . 0.0 110.819 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.18 -33.77 76.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.42 -10.7 26.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -102.82 -32.18 9.93 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.927 0.785 . . . . 0.0 112.665 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -90.44 -14.6 32.53 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -144.13 166.93 23.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 111.034 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 pt -64.06 144.67 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.097 0.559 . . . . 0.0 112.386 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.54 153.57 39.06 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.961 1.304 . . . . 0.0 112.823 169.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -147.39 167.54 24.11 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.982 2.513 . . . . 0.0 108.674 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.74 -35.32 55.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -67.05 -22.88 65.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -84.71 -37.27 21.13 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.348 1.059 . . . . 0.0 111.892 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.67 -42.34 99.57 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.702 1.137 . . . . 0.0 111.498 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -16.81 60.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.745 1.218 . . . . 0.0 113.863 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -68.78 -24.15 64.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.385 -0.822 . . . . 0.0 112.681 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.77 -30.36 16.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.39 159.76 26.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 60.46 -34.58 0.08 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 130.334 3.454 . . . . 0.0 118.192 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.155 0 C-N-CA 125.944 1.735 . . . . 0.0 113.657 -177.164 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.5 t80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.486 0.184 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.3 m -69.09 153.6 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.904 0.881 . . . . 0.0 113.086 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -134.34 83.09 2.01 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.483 1.513 . . . . 0.0 108.553 170.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -144.51 163.92 32.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.873 1.269 . . . . 0.0 112.306 -169.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -82.21 143.85 31.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 168.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.33 151.58 51.79 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.073 1.749 . . . . 0.0 109.463 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 169.59 18.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 110.334 171.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.88 -133.29 52.76 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 121.598 -0.688 . . . . 0.0 113.098 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -73.79 -24.36 59.82 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -67.89 -32.4 72.86 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.72 1.6 . . . . 0.0 112.552 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.26 -34.76 78.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.42 1.088 . . . . 0.0 111.664 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.62 -39.28 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.88 1.272 . . . . 0.0 110.986 170.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -62.23 -37.38 85.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.397 1.479 . . . . 0.0 112.471 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.88 90.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.111 0.869 . . . . 0.0 111.843 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.77 -33.79 75.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.18 0.992 . . . . 0.0 111.74 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.29 -42.93 82.93 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.337 1.055 . . . . 0.0 111.887 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.97 -28.59 57.94 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.837 -1.164 . . . . 0.0 112.879 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.81 -31.15 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.573 1.149 . . . . 0.0 112.213 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.3 m -144.57 2.74 1.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -169.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.93 -19.52 37.52 Favored Glycine 0 N--CA 1.48 1.6 0 CA-C-N 120.07 1.305 . . . . 0.0 116.115 -174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -103.86 -8.54 19.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.396 1.479 . . . . 0.0 113.707 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -105.58 -11.63 16.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.25 2.62 . . . . 0.0 113.298 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.54 121.44 4.9 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.356 1.931 . . . . 0.0 113.044 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.92 -40.22 94.72 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 t80 61.17 -32.58 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.886 2.474 . . . . 0.0 114.87 -166.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.19 113.39 0.79 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.722 1.609 . . . . 0.0 114.316 -172.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -117.77 141.82 29.69 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 126.093 1.757 . . . . 0.0 111.092 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.65 152.32 69.86 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.927 2.418 . . . . 0.0 112.763 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -76.52 175.29 9.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.413 1.485 . . . . 0.0 112.955 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 80.9 p -73.49 178.67 4.49 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.056 1.742 . . . . 0.0 111.823 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -70.36 2.69 3.57 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 126.178 1.791 . . . . 0.0 112.606 179.02 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.35 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.422 1.889 . . . . 0.0 114.856 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.53 -28.51 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.82 -29.65 64.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -166.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -61.21 -36.99 81.41 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.782 1.174 . . . . 0.0 111.832 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.06 -20.67 18.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.631 1.173 . . . . 0.0 113.129 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -86.0 -28.32 24.27 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.345 -0.847 . . . . 0.0 112.518 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -106.13 -11.24 16.16 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -146.39 179.53 7.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.688 1.595 . . . . 0.0 111.401 173.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 pt -74.07 -24.45 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p 47.96 -167.21 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.549 2.74 . . . . 0.0 115.219 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -151.03 164.26 36.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.052 0.941 . . . . 0.0 112.377 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.61 -29.94 62.69 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.648 0.779 . . . . 0.0 112.822 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -64.89 -25.29 67.82 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.488 0.715 . . . . 0.0 112.893 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -84.08 -31.28 25.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.37 1.068 . . . . 0.0 112.019 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.44 -39.65 85.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.987 0.515 . . . . 0.0 111.007 169.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.48 -20.95 66.51 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.853 -1.154 . . . . 0.0 113.263 173.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -73.99 -28.94 61.7 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.05 0.841 . . . . 0.0 112.756 171.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.89 -26.14 43.88 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.862 0.865 . . . . 0.0 112.766 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.9 t -71.34 155.92 40.11 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.385 1.474 . . . . 0.0 112.316 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.88 136.74 56.53 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.451 1.1 . . . . 0.0 112.516 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 C-N-CA 125.542 1.544 . . . . 0.0 113.242 177.631 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.17 -4.63 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . 0.251 0.9 OUTLIER 47.67 36.75 5.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.074 2.55 . . . . 0.0 115.087 174.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -148.32 159.29 44.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.986 0.914 . . . . 0.0 112.46 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.75 139.64 57.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.727 0.811 . . . . 0.0 112.584 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.09 134.95 30.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.69 1.996 . . . . 0.0 110.079 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -141.73 151.97 43.41 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.327 1.051 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.91 -135.54 48.98 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 123.413 0.53 . . . . 0.0 113.51 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -59.32 -26.45 65.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -68.39 -36.25 78.87 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.125 -0.984 . . . . 0.0 111.647 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 tp -73.41 -37.35 65.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.365 0.666 . . . . 0.0 111.49 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.92 -39.91 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.065 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -42.81 99.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.775 1.171 . . . . 0.0 112.32 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.06 81.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.628 -0.67 . . . . 0.0 112.196 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.85 -40.56 80.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.55 1.14 . . . . 0.0 111.95 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.28 -43.03 99.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.476 1.11 . . . . 0.0 111.558 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.7 mt -74.62 -36.48 62.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.712 1.205 . . . . 0.0 112.812 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.33 -39.82 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.974 0.806 . . . . 0.0 111.717 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 t -78.56 -29.78 46.5 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.0 113.234 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.69 44.48 81.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.775 0.702 . . . . 0.0 113.496 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.78 16.82 9.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -74.25 -7.69 53.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.448 1.499 . . . . 0.0 114.24 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.84 145.4 8.27 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.486 1.517 . . . . 0.0 113.089 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -146.28 162.93 37.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.44 1.096 . . . . 0.0 113.406 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -73.77 -25.33 60.1 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -170.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -29.54 121.39 0.15 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.8 t -130.71 141.66 42.74 Favored Pre-proline 0 N--CA 1.471 0.605 0 C-N-CA 126.177 1.791 . . . . 0.0 110.933 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -7.99 20.04 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.526 2.817 . . . . 0.0 114.583 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -138.37 139.81 39.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.299 1.44 . . . . 0.0 111.806 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.0 p -88.36 161.51 17.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.518 1.527 . . . . 0.0 112.597 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.65 -32.72 70.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.208 1.003 . . . . 0.0 113.35 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.683 1.993 . . . . 0.0 111.228 178.744 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp -35.83 -56.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 127.502 2.321 . . . . 0.0 114.446 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 -1.06 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -170.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.46 -28.08 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.098 -1.001 . . . . 0.0 112.29 169.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -61.8 -32.35 72.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.596 1.158 . . . . 0.0 112.633 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.01 -20.0 15.58 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -98.07 -49.93 4.57 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -96.57 -29.52 13.81 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.708 0.686 . . . . 0.0 112.34 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -99.92 170.24 8.65 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.058 1.343 . . . . 0.0 111.047 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.87 139.59 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 110.05 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.1 177.38 7.91 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -142.47 170.36 15.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.219 1.408 . . . . 0.0 112.222 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.93 -39.81 66.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.471 1.508 . . . . 0.0 111.52 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -67.1 -20.39 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.927 1.291 . . . . 0.0 113.657 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -88.29 -36.57 16.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.367 1.067 . . . . 0.0 111.245 170.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.3 -31.08 71.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.449 0.699 . . . . 0.0 112.514 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.62 -24.68 64.02 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -69.76 -18.25 63.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.112 0.965 . . . . 0.0 112.803 -178.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.1 -6.48 24.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.714 1.206 . . . . 0.0 113.419 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.4 156.55 25.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.43 1.092 . . . . 0.0 112.596 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -65.04 152.1 44.33 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.435 1.494 . . . . 0.0 111.948 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-O 118.028 -1.429 . . . . 0.0 112.563 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.4 m -71.64 -19.45 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 43.02 54.04 4.95 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.143 2.577 . . . . 0.0 112.871 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -123.98 146.35 48.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.15 1.38 . . . . 0.0 113.831 -167.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -102.74 136.36 42.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.034 1.334 . . . . 0.0 109.857 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -150.53 131.75 14.5 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.82 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.9 m -136.89 165.64 25.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.712 1.205 . . . . 0.0 112.075 -169.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.58 -140.43 45.66 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.108 0.861 . . . . 0.0 114.376 169.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -66.5 -24.08 66.35 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -64.39 -38.83 92.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.86 0.755 . . . . 0.0 111.192 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.48 -41.7 88.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.328 1.051 . . . . 0.0 111.817 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -61.79 -44.94 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.262 0.625 . . . . 0.0 110.882 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.71 -42.35 99.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.814 0.846 . . . . 0.0 112.31 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.89 95.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.18 -0.95 . . . . 0.0 112.163 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.3 98.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.681 0.792 . . . . 0.0 111.073 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.04 -48.09 79.37 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.727 1.611 . . . . 0.0 111.517 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.13 -31.97 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.043 0.937 . . . . 0.0 113.019 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.74 -42.76 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.393 174.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 60.4 m -75.1 -33.29 61.61 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.46 53.96 11.73 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.685 0.675 . . . . 0.0 113.709 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 58.89 41.69 20.88 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.35 1.46 . . . . 0.0 114.005 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -108.35 -3.45 18.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.404 1.882 . . . . 0.0 114.387 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 149.3 9.61 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.275 1.417 . . . . 0.0 112.509 -172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -163.98 168.88 18.76 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.856 1.262 . . . . 0.0 112.651 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -113.91 140.65 48.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.295 1.438 . . . . 0.0 111.222 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -136.52 18.89 3.11 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.6 m 53.65 67.56 3.53 Favored Pre-proline 0 N--CA 1.481 1.077 0 C-N-CA 125.56 1.544 . . . . 0.0 112.787 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.46 -15.18 19.89 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.799 2.999 . . . . 0.0 114.543 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.86 161.12 41.93 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -171.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 65.93 0.13 1.49 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 126.917 2.087 . . . . 0.0 116.503 169.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -154.38 148.81 26.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.968 1.707 . . . . 0.0 110.605 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 127.398 2.279 . . . . 0.0 113.047 -173.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.477 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.15 -54.45 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.497 1.919 . . . . 0.0 113.411 -173.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -83.26 -33.62 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.021 0.928 . . . . 0.0 111.85 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.83 -32.85 73.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.306 1.442 . . . . 0.0 112.806 -175.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -58.27 -23.21 55.44 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.782 1.233 . . . . 0.0 113.571 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -18.86 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 172.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.5 t -82.73 -20.39 36.08 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.253 0.933 . . . . 0.0 113.334 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -133.5 -40.18 0.89 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.197 0.999 . . . . 0.0 111.489 169.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -82.93 178.11 8.32 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.21 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 pt -102.63 148.5 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.763 1.225 . . . . 0.0 111.629 174.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -134.6 160.81 36.92 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -133.3 170.75 14.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.933 2.093 . . . . 0.0 110.328 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -52.54 -33.16 44.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -68.11 -22.64 64.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.872 0.869 . . . . 0.0 112.849 178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -79.71 -42.89 23.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.95 0.9 . . . . 0.0 111.011 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.02 -40.75 96.76 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.959 0.8 . . . . 0.0 111.965 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.37 -13.8 15.16 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -73.47 -21.67 60.38 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.056 -1.028 . . . . 0.0 113.115 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.39 -3.37 33.99 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -171.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -118.13 168.45 10.56 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -175.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -64.5 164.05 12.32 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.261 2.224 . . . . 0.0 112.867 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.256 0 C-N-CA 125.78 1.657 . . . . 0.0 112.514 172.352 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.597 0.237 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.52 164.47 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.624 1.169 . . . . 0.0 112.537 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.69 37.02 2.65 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.565 1.146 . . . . 0.0 111.006 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -90.16 153.92 20.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.303 1.441 . . . . 0.0 113.053 -172.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -124.78 156.12 38.26 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.327 1.451 . . . . 0.0 112.336 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -154.12 146.11 23.59 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.434 2.294 . . . . 0.0 109.895 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.82 160.23 42.98 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.633 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -132.31 46.02 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.022 0.82 . . . . 0.0 113.469 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.4 p -63.32 -23.21 67.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -70.93 -37.85 72.9 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.659 1.118 . . . . 0.0 111.59 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.4 -38.92 71.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.247 1.019 . . . . 0.0 111.418 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.41 -45.57 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.798 0.839 . . . . 0.0 111.295 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.64 -40.92 98.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.35 0.977 . . . . 0.0 112.016 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.0 96.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.672 -0.643 . . . . 0.0 111.874 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.73 -41.5 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.845 0.858 . . . . 0.0 112.296 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.73 -47.43 86.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.481 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.98 -31.9 30.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.426 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -65.26 -46.4 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.015 0.825 . . . . 0.0 110.644 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.89 -24.35 28.53 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.51 53.38 4.38 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.702 1.144 . . . . 0.0 112.764 173.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 59.58 31.96 21.29 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.279 1.432 . . . . 0.0 113.87 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -71.46 -20.05 62.14 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.951 1.3 . . . . 0.0 114.462 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.84 135.12 7.87 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.881 1.705 . . . . 0.0 110.362 -167.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -157.46 168.26 27.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.927 0.891 . . . . 0.0 113.015 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -122.02 135.5 54.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.342 1.457 . . . . 0.0 110.55 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -134.04 -0.95 3.01 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.6 m -85.63 125.16 70.03 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 121.116 -0.99 . . . . 0.0 111.026 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.42 153.22 50.07 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.966 2.444 . . . . 0.0 112.733 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.78 50.24 1.32 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.616 1.566 . . . . 0.0 112.115 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -81.58 162.01 23.3 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.594 1.558 . . . . 0.0 112.989 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.95 -174.81 0.08 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.024 2.129 . . . . 0.0 114.301 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 . . . . . 0 C--O 1.251 1.138 0 C-N-CA 126.969 2.108 . . . . 0.0 111.47 -177.096 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.71 -31.13 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.289 1.045 . . . . 0.0 112.878 -173.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.06 -28.61 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 120.976 -1.077 . . . . 0.0 112.14 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.51 -34.3 63.01 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.55 -0.719 . . . . 0.0 111.601 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.92 -44.13 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.04 0.836 . . . . 0.0 113.11 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -82.01 -20.84 37.6 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.6 t -76.0 -37.6 58.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.718 0.807 . . . . 0.0 111.69 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -101.03 -14.27 17.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.484 1.514 . . . . 0.0 114.307 -174.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.61 177.39 8.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.783 1.633 . . . . 0.0 111.939 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.78 145.37 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.219 1.007 . . . . 0.0 112.755 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 m -142.92 167.45 22.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 113.564 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -136.81 177.94 7.46 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.521 1.928 . . . . 0.0 112.026 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.76 -29.6 28.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 170.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -73.89 -29.91 62.33 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.357 -0.84 . . . . 0.0 112.422 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -81.05 -26.1 36.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.553 0.741 . . . . 0.0 112.585 169.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.99 -38.28 75.97 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.963 -1.085 . . . . 0.0 111.169 169.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -67.88 -12.03 59.86 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 119.867 -1.771 . . . . 0.0 113.705 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.94 -24.25 60.78 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.911 -1.118 . . . . 0.0 112.813 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.58 -20.58 31.25 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.086 -1.009 . . . . 0.0 112.866 169.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.7 t -83.83 154.66 23.36 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.891 1.676 . . . . 0.0 113.636 -171.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -68.74 140.3 55.36 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.497 1.919 . . . . 0.0 112.069 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.307 0 CA-C-O 118.054 -1.414 . . . . 0.0 112.956 -179.182 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.2 m -69.86 148.59 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.924 0.89 . . . . 0.0 113.147 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -82.37 61.6 5.64 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.078 1.351 . . . . 0.0 110.859 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -107.3 134.95 49.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 113.804 -168.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.16 142.26 27.69 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.329 1.451 . . . . 0.0 108.698 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.68 128.68 13.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.122 0.969 . . . . 0.0 110.876 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -136.79 165.01 26.93 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.736 0.815 . . . . 0.0 112.742 -170.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.94 -138.22 49.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.211 0.91 . . . . 0.0 114.322 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.2 p -66.52 -22.05 66.17 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -69.28 -39.77 78.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.371 0.987 . . . . 0.0 111.213 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.34 -47.18 87.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.445 1.098 . . . . 0.0 110.613 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -64.44 -37.38 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.317 0.647 . . . . 0.0 112.189 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.79 -45.96 69.95 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.525 1.057 . . . . 0.0 111.998 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.48 99.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.686 -0.634 . . . . 0.0 111.749 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.33 -41.09 88.31 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.661 1.184 . . . . 0.0 111.835 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -44.64 96.89 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.449 1.022 . . . . 0.0 111.413 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.16 -35.24 68.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.54 1.136 . . . . 0.0 112.941 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.98 -38.58 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.29 1.036 . . . . 0.0 111.756 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.59 -27.5 55.82 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.423 -0.798 . . . . 0.0 112.59 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.7 42.15 99.71 Favored Glycine 0 CA--C 1.534 1.221 0 O-C-N 121.476 -0.765 . . . . 0.0 112.664 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.354 10.8 pt-20 53.69 26.34 5.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.429 2.291 . . . . 0.0 116.947 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -64.82 -16.66 63.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.627 1.171 . . . . 0.0 112.798 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.19 138.06 9.65 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.602 2.049 . . . . 0.0 112.003 -173.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -150.9 158.28 43.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.098 0.959 . . . . 0.0 112.928 -174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -86.57 134.32 33.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.251 1.02 . . . . 0.0 111.119 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -142.7 137.38 29.83 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.334 1.054 . . . . 0.0 110.647 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -147.13 44.1 0.37 Allowed Pre-proline 0 N--CA 1.48 1.031 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.04 -16.91 40.97 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 123.522 2.815 . . . . 0.0 114.724 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.22 135.19 41.03 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.211 1.404 . . . . 0.0 110.451 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -61.94 -40.86 96.98 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.149 1.38 . . . . 0.0 113.492 -170.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.56 -137.63 0.91 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.938 1.695 . . . . 0.0 112.302 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.895 2.078 . . . . 0.0 112.059 177.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 CA-C-O 119.427 -0.652 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.307 9.6 tp 56.17 -46.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 1 C-N-CA 131.889 4.076 . . . . 0.0 117.758 171.254 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.32 -24.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.62 -36.43 51.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.768 0.713 . . . . 0.0 112.702 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.8 -44.04 97.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.233 1.013 . . . . 0.0 112.067 -171.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -82.43 -14.59 54.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.238 1.015 . . . . 0.0 113.683 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -86.37 -37.02 18.84 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.552 0.741 . . . . 0.0 111.783 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -92.45 -18.6 23.01 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.421 1.488 . . . . 0.0 114.449 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -142.44 179.46 6.93 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.389 1.876 . . . . 0.0 111.296 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -75.84 152.52 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.207 -0.933 . . . . 0.0 112.058 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 m -133.61 128.19 34.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -95.43 167.41 11.34 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.83 1.652 . . . . 0.0 110.614 168.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -54.87 -31.15 59.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -69.33 -28.5 66.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.491 -0.755 . . . . 0.0 113.026 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.89 -30.72 56.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.437 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.33 -38.15 42.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.939 0.896 . . . . 0.0 112.109 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.3 -22.86 66.37 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.305 -1.497 . . . . 0.0 113.394 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.4 -34.46 77.79 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.324 -0.86 . . . . 0.0 112.255 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.48 -36.66 44.88 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.075 0.95 . . . . 0.0 111.648 171.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.95 -36.99 83.05 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.209 0.603 . . . . 0.0 112.283 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -89.02 12.99 13.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.298 1.439 . . . . 0.0 113.772 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 C-N-CA 125.481 1.515 . . . . 0.0 113.915 -179.685 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.428 0.156 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.5 m -73.5 152.16 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.603 1.161 . . . . 0.0 113.162 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -120.26 86.97 2.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.082 1.353 . . . . 0.0 109.041 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -141.32 157.27 45.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.548 1.139 . . . . 0.0 113.528 -170.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -87.04 148.18 25.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.35 1.06 . . . . 0.0 109.985 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.3 mt -142.68 141.17 31.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.89 1.676 . . . . 0.0 110.08 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.58 156.96 46.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.08 0.952 . . . . 0.0 111.162 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -141.44 48.08 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 121.953 -0.467 . . . . 0.0 112.675 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -65.66 -25.41 67.33 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.59 -0.947 . . . . 0.0 113.469 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -68.42 -29.4 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.432 1.015 . . . . 0.0 112.678 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 tp -68.4 -37.58 80.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.2 0.6 . . . . 0.0 111.315 170.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.96 -42.07 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.143 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.98 -44.14 97.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.655 1.182 . . . . 0.0 112.245 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.36 86.39 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.395 -0.816 . . . . 0.0 112.493 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.68 -38.96 89.74 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.498 0.719 . . . . 0.0 111.58 172.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.88 -44.92 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.574 1.15 . . . . 0.0 111.833 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.21 -36.61 79.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.27 1.028 . . . . 0.0 112.749 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.24 -40.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.801 0.84 . . . . 0.0 111.432 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.12 -30.57 71.09 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.286 -0.884 . . . . 0.0 112.803 172.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.36 76.88 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 120.143 1.338 . . . . 0.0 112.656 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.261 14.4 tt0 60.97 27.57 17.43 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.628 1.971 . . . . 0.0 115.314 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -63.66 -17.53 63.03 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.624 -1.298 . . . . 0.0 113.535 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.69 130.18 5.89 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.89 1.71 . . . . 0.0 113.087 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -153.85 151.62 29.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.274 1.829 . . . . 0.0 110.217 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.9 -28.31 68.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.581 -1.325 . . . . 0.0 114.153 -169.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.28 1.2 9.93 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 173.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.9 m -52.6 121.06 20.22 Favored Pre-proline 0 N--CA 1.479 1.007 0 C-N-CA 124.312 1.045 . . . . 0.0 111.239 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -67.4 -21.74 46.59 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.685 2.257 . . . . 0.0 115.522 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.79 145.18 28.83 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.843 1.657 . . . . 0.0 110.683 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 82.8 p -137.82 156.02 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.521 174.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -100.98 42.96 1.08 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.568 1.547 . . . . 0.0 112.61 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.186 1.794 . . . . 0.0 112.709 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -49.93 -54.46 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.788 1.635 . . . . 0.0 114.82 -173.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.26 -30.72 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 123.404 0.682 . . . . 0.0 111.88 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.58 -43.49 69.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.97 1.308 . . . . 0.0 111.886 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.11 -11.39 60.73 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -170.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.58 -5.06 13.42 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.907 1.283 . . . . 0.0 113.992 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -102.23 -36.65 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.834 1.254 . . . . 0.0 112.993 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -83.56 -18.13 39.39 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.598 1.159 . . . . 0.0 113.254 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -136.48 164.64 27.69 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.37 2.268 . . . . 0.0 110.382 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.4 pt -59.89 152.81 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.524 0.73 . . . . 0.0 112.139 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 t -123.97 144.03 50.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.205 1.002 . . . . 0.0 113.567 -171.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -156.55 173.35 17.05 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.138 0.975 . . . . 0.0 113.509 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.05 -37.41 66.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.874 1.67 . . . . 0.0 112.032 -175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -64.99 -29.57 70.5 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -80.27 -36.43 34.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.303 1.041 . . . . 0.0 111.136 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.24 -40.16 62.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.816 0.846 . . . . 0.0 112.368 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.72 -29.69 70.86 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.772 -1.205 . . . . 0.0 112.594 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -62.94 -37.3 86.51 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.534 -0.729 . . . . 0.0 111.221 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -74.2 -30.4 62.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.1 m -66.66 -35.07 79.28 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -81.74 -39.54 24.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.218 1.007 . . . . 0.0 112.816 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 C-N-CA 125.581 1.562 . . . . 0.0 114.244 178.827 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 118.976 -0.535 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.309 11.0 m 53.63 177.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.453 2.301 . . . . 0.0 114.52 -168.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -82.13 67.97 8.35 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.461 1.104 . . . . 0.0 111.983 -170.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -133.31 151.01 51.86 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.255 1.422 . . . . 0.0 112.392 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -105.27 159.73 15.65 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.773 1.629 . . . . 0.0 110.452 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -133.97 141.63 47.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.194 1.398 . . . . 0.0 110.68 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.71 159.54 42.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.759 0.823 . . . . 0.0 111.438 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.3 -138.71 39.38 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.848 0.737 . . . . 0.0 113.318 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -64.32 -20.26 65.97 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -68.67 -38.94 80.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.856 1.207 . . . . 0.0 111.52 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.51 -43.32 85.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.33 1.052 . . . . 0.0 110.746 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.408 0.683 . . . . 0.0 111.31 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.85 -43.24 84.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.189 0.904 . . . . 0.0 112.018 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.49 98.77 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.786 -0.572 . . . . 0.0 111.666 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.91 -42.23 97.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.899 0.88 . . . . 0.0 111.944 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.09 -43.89 91.86 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.434 1.094 . . . . 0.0 111.748 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.59 -34.26 71.96 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.303 1.041 . . . . 0.0 112.805 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.48 -39.47 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.868 0.867 . . . . 0.0 111.863 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.57 -23.9 58.83 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.25 0.62 . . . . 0.0 112.64 174.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.94 36.17 91.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.05 0.833 . . . . 0.0 113.664 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 60.31 21.05 10.54 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.053 1.741 . . . . 0.0 114.705 -174.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.25 -7.02 47.08 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.715 -1.241 . . . . 0.0 114.308 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.09 131.33 6.69 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.159 1.837 . . . . 0.0 113.106 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -155.77 172.91 17.53 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.679 1.992 . . . . 0.0 110.456 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -138.51 144.66 40.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.2 1.0 . . . . 0.0 111.658 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -136.15 11.34 3.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m 53.93 62.37 9.04 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 126.266 1.826 . . . . 0.0 113.841 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -61.88 143.99 96.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.943 2.429 . . . . 0.0 111.719 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -131.0 7.59 4.7 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.619 1.568 . . . . 0.0 114.518 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -75.04 158.21 33.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.334 1.454 . . . . 0.0 112.501 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.27 154.31 21.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.597 1.159 . . . . 0.0 111.269 175.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 126.432 1.893 . . . . 0.0 111.515 -179.281 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -50.37 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 126.845 2.058 . . . . 0.0 114.471 -173.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.85 -25.07 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.946 0.899 . . . . 0.0 113.094 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.96 -41.77 18.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.43 0.692 . . . . 0.0 111.406 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -55.06 -47.44 74.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.841 0.857 . . . . 0.0 113.197 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -88.37 -7.12 57.18 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.69 -37.11 13.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.842 0.857 . . . . 0.0 111.996 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -89.0 -20.48 24.36 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -142.04 174.24 10.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.562 1.545 . . . . 0.0 112.606 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.83 138.84 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.645 1.578 . . . . 0.0 113.018 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m -139.28 156.5 47.01 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -153.38 -175.94 5.57 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.531 1.932 . . . . 0.0 109.932 169.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tt -45.73 -42.6 12.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.486 1.915 . . . . 0.0 113.544 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -65.8 -23.1 66.63 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -94.57 -31.47 13.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.398 1.079 . . . . 0.0 112.402 170.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.69 -40.3 72.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.599 0.76 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.9 -26.33 62.03 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.13 -0.982 . . . . 0.0 112.967 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.83 -29.93 67.27 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.539 1.136 . . . . 0.0 112.744 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -82.07 -14.49 55.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.795 0.838 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -100.44 -19.75 16.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.174 0.99 . . . . 0.0 113.338 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.45 139.1 57.87 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.829 1.252 . . . . 0.0 112.756 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 C-N-CA 125.766 1.65 . . . . 0.0 114.596 -179.59 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.489 0.185 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.56 151.37 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.498 1.119 . . . . 0.0 112.583 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -97.48 14.05 27.76 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -86.76 142.2 28.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.697 1.199 . . . . 0.0 113.506 -169.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -117.57 152.0 36.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.332 1.853 . . . . 0.0 109.849 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.2 mt -139.34 142.87 37.61 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.361 1.464 . . . . 0.0 110.264 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.31 155.63 46.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.864 0.866 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.97 -139.16 49.0 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 123.599 0.619 . . . . 0.0 112.715 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -64.71 -26.06 68.21 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -69.93 -28.71 65.8 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.497 1.044 . . . . 0.0 112.875 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.3 tp -71.41 -36.24 71.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.621 0.768 . . . . 0.0 111.329 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.63 -46.79 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.441 0.696 . . . . 0.0 110.74 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.45 -41.7 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.179 1.392 . . . . 0.0 112.422 176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.74 89.53 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.56 -0.713 . . . . 0.0 111.949 176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.98 -41.46 99.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.832 0.853 . . . . 0.0 112.337 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -60.35 -42.57 96.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.929 1.692 . . . . 0.0 111.919 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.53 -32.73 48.13 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.443 1.097 . . . . 0.0 113.302 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.29 -46.03 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 111.509 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -19.59 36.61 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.96 57.62 4.01 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.688 1.137 . . . . 0.0 112.702 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 61.76 18.42 9.66 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.556 1.542 . . . . 0.0 114.364 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.31 59.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 135.8 2.22 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.392 1.472 . . . . 0.0 111.82 -169.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.21 155.84 49.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.438 1.495 . . . . 0.0 112.221 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -104.06 59.87 0.73 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.074 1.75 . . . . 0.0 111.835 -169.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -69.61 -29.91 67.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.453 0.701 . . . . 0.0 112.499 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -61.81 134.22 93.97 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 124.635 1.174 . . . . 0.0 111.028 173.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -59.27 126.65 21.47 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.942 2.428 . . . . 0.0 113.181 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -144.72 161.78 38.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.731 2.012 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -144.04 155.69 44.09 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.139 1.376 . . . . 0.0 111.938 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -114.27 4.36 15.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.248 1.819 . . . . 0.0 113.164 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.559 1.543 . . . . 0.0 112.38 -179.736 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.455 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -158.27 -46.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.693 1.197 . . . . 0.0 111.607 168.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.46 -45.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.87 -44.68 96.33 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.161 0.891 . . . . 0.0 112.051 -172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -57.46 -32.54 67.05 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.153 0.981 . . . . 0.0 112.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.9 m -90.92 -8.57 48.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 114.458 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -97.8 -42.63 7.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 111.843 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -82.42 -21.97 35.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.122 0.969 . . . . 0.0 113.181 178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -143.4 179.49 7.07 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.164 1.786 . . . . 0.0 110.731 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 pt -80.66 149.09 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.885 1.274 . . . . 0.0 112.411 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.14 126.69 26.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.509 1.123 . . . . 0.0 112.136 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -70.57 161.01 31.44 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.062 0.945 . . . . 0.0 111.351 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.68 -32.95 63.69 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.667 0.787 . . . . 0.0 111.052 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -64.91 -30.06 71.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.283 1.033 . . . . 0.0 113.062 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -77.02 -36.33 56.36 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.204 1.002 . . . . 0.0 110.97 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.11 -33.11 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.988 0.515 . . . . 0.0 112.255 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.87 -30.31 70.78 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.707 -1.246 . . . . 0.0 112.862 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.6 -24.52 66.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.181 -0.95 . . . . 0.0 111.853 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -89.02 -23.34 22.61 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.573 1.149 . . . . 0.0 112.696 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.52 -34.16 77.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.907 0.776 . . . . 0.0 111.551 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -71.28 151.28 44.39 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.388 1.075 . . . . 0.0 111.212 171.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 CA-C-O 118.195 -1.336 . . . . 0.0 113.152 -175.339 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 p90 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.63 -13.64 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 125.088 1.355 . . . . 0.0 113.037 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 53.06 53.25 12.27 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.964 2.506 . . . . 0.0 112.393 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -108.14 146.44 32.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.531 1.532 . . . . 0.0 112.263 -174.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -125.44 143.73 50.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.247 1.819 . . . . 0.0 110.219 172.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -140.54 150.87 44.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.314 1.446 . . . . 0.0 110.851 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.8 m -127.63 155.47 43.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.355 1.062 . . . . 0.0 111.681 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.98 46.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.918 0.771 . . . . 0.0 113.763 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -63.36 -23.39 67.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -65.11 -40.09 94.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.317 0.962 . . . . 0.0 111.377 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.74 -42.34 82.0 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.377 0.671 . . . . 0.0 111.367 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.87 -39.86 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.905 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.17 -40.94 90.87 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.064 0.847 . . . . 0.0 112.661 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.28 99.73 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.132 0.878 . . . . 0.0 112.027 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.6 -44.68 89.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 110.479 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.86 -46.43 87.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.215 1.406 . . . . 0.0 112.097 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.89 -30.7 70.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.569 1.147 . . . . 0.0 112.583 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.56 -42.15 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.147 0.979 . . . . 0.0 111.655 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 40.0 m -68.26 -33.79 75.02 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 0.958 . . . . 0.0 112.659 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.42 50.59 31.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.252 0.929 . . . . 0.0 113.244 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 64.53 11.11 6.36 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -21.0 64.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 138.68 6.33 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.782 1.658 . . . . 0.0 113.445 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -162.96 174.57 12.17 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.555 1.942 . . . . 0.0 110.973 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -147.51 144.6 28.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.012 0.925 . . . . 0.0 110.554 167.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -88.49 25.75 1.62 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.953 1.701 . . . . 0.0 114.436 -171.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -63.34 146.14 96.47 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.329 1.052 . . . . 0.0 111.179 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.74 -20.03 33.39 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.516 2.811 . . . . 0.0 115.502 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . 0.292 11.7 ptpt 46.74 -158.68 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.078 2.551 . . . . 0.0 114.473 175.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.25 69.1 p 46.09 -86.3 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 128.752 2.821 . . . . 0.0 114.791 -172.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -132.0 130.09 40.96 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.499 1.92 . . . . 0.0 109.987 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.141 1.776 . . . . 0.0 111.811 -175.447 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -41.82 -52.18 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.511 1.925 . . . . 0.0 114.982 -169.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.45 -29.53 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.85 -35.47 19.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.676 -0.678 . . . . 0.0 112.799 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -66.31 -38.93 88.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.175 1.352 . . . . 0.0 113.342 -171.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 m -80.89 -19.47 44.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.278 1.031 . . . . 0.0 113.445 173.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.58 -34.65 23.14 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.392 0.677 . . . . 0.0 112.428 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -97.17 -14.7 21.29 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.812 1.645 . . . . 0.0 114.001 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -144.0 -177.05 5.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.414 1.486 . . . . 0.0 111.821 171.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 pt -67.04 139.89 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.829 0.823 . . . . 0.0 112.13 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 t -101.5 160.78 14.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.998 1.319 . . . . 0.0 111.264 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.84 161.6 38.36 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.142 -0.974 . . . . 0.0 112.269 171.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.45 -33.82 55.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.172 1.389 . . . . 0.0 111.999 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -64.8 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 112.956 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -75.08 -38.63 61.22 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.446 0.698 . . . . 0.0 110.909 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.32 -43.16 98.57 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.718 0.69 . . . . 0.0 111.347 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.98 -33.43 74.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.777 -1.202 . . . . 0.0 112.227 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.41 -29.7 70.42 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.287 -0.883 . . . . 0.0 113.034 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.33 -18.71 51.97 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.861 0.864 . . . . 0.0 113.294 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.8 t -88.91 -31.68 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.586 1.155 . . . . 0.0 112.46 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.79 144.34 56.62 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.738 1.215 . . . . 0.0 112.498 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 C-N-CA 125.199 1.381 . . . . 0.0 113.275 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER 50.92 18.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 126.914 2.086 . . . . 0.0 115.032 177.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 45.09 33.72 1.15 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.84 2.056 . . . . 0.0 114.113 -170.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -111.18 153.89 25.14 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -87.92 159.67 18.25 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.362 1.465 . . . . 0.0 109.982 169.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.6 mt -139.98 130.77 25.92 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.013 1.725 . . . . 0.0 109.93 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -139.51 157.59 45.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 111.613 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.2 -137.29 49.54 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.695 0.664 . . . . 0.0 113.028 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.8 p -65.1 -21.13 66.76 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -67.5 -37.41 82.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.966 1.257 . . . . 0.0 111.775 174.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.28 -39.4 78.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.289 1.036 . . . . 0.0 111.122 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.96 -41.1 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.496 0.718 . . . . 0.0 111.393 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.05 -41.31 95.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.928 0.891 . . . . 0.0 111.854 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.87 99.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.445 -0.785 . . . . 0.0 112.0 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.84 -40.82 96.65 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.657 0.783 . . . . 0.0 112.011 174.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -43.54 98.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 111.539 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.51 -31.09 68.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.803 0.841 . . . . 0.0 112.936 177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -77.9 -34.92 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.141 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -5.85 13.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.988 1.267 . . . . 0.0 114.413 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.27 -66.45 0.73 Allowed Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.426 2.441 . . . . 0.0 114.673 171.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -149.4 -3.26 0.42 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.429 1.892 . . . . 0.0 113.657 -169.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.93 -24.24 67.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.209 1.404 . . . . 0.0 114.751 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.73 136.24 3.43 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.806 1.193 . . . . 0.0 111.004 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -156.91 159.19 37.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.203 1.001 . . . . 0.0 112.957 -168.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -87.41 63.74 7.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.061 1.344 . . . . 0.0 112.487 -173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -70.35 -30.47 67.42 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -92.85 132.08 32.02 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.057 0.943 . . . . 0.0 108.77 169.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -54.17 144.43 58.96 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.336 2.691 . . . . 0.0 113.904 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.44 -18.15 62.34 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.976 0.91 . . . . 0.0 113.294 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 44.0 p -83.52 -22.49 32.43 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.868 1.667 . . . . 0.0 113.962 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 52.41 28.37 5.77 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.323 1.849 . . . . 0.0 113.419 -170.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.721 1.608 . . . . 0.0 112.237 -178.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 CA-C-O 119.38 -0.678 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.301 9.0 tp 51.1 -49.97 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 1 C-N-CA 132.085 4.154 . . . . 0.0 117.745 177.269 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -116.46 -23.38 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.887 1.675 . . . . 0.0 113.527 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.91 -43.12 96.88 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.685 -0.635 . . . . 0.0 112.489 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -62.66 -30.99 71.79 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -94.23 -10.47 32.88 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.64 -38.68 9.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.823 1.249 . . . . 0.0 112.181 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.4 -19.51 26.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.805 1.242 . . . . 0.0 113.563 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -143.82 -177.42 5.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.198 1.799 . . . . 0.0 110.833 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -87.61 147.41 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.373 1.069 . . . . 0.0 113.487 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -137.63 127.73 25.96 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.929 1.691 . . . . 0.0 113.422 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.6 p -80.86 174.69 11.37 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.234 1.414 . . . . 0.0 111.453 167.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.98 -34.96 72.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.544 -0.722 . . . . 0.0 111.008 169.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.92 -32.57 72.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.434 1.093 . . . . 0.0 112.654 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -76.41 -18.74 58.68 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.14 -36.14 21.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.555 1.142 . . . . 0.0 111.317 170.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.31 -21.69 50.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.058 1.343 . . . . 0.0 112.474 169.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.68 -30.84 45.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.553 170.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -98.16 -32.8 11.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.952 1.301 . . . . 0.0 112.845 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 m -75.75 -29.17 58.76 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -141.5 -47.91 0.39 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.79 1.636 . . . . 0.0 112.777 -167.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.161 0 C-N-CA 125.441 1.496 . . . . 0.0 113.513 -178.243 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.519 -0.277 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 t 57.56 114.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 127.838 2.455 . . . . 0.0 113.575 -170.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -79.57 69.7 5.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.446 1.098 . . . . 0.0 111.286 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -132.95 126.59 32.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.211 1.804 . . . . 0.0 109.961 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -132.35 142.75 49.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.492 1.517 . . . . 0.0 110.246 171.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -146.17 149.32 33.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.908 1.683 . . . . 0.0 110.027 -170.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.93 159.38 42.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.352 0.661 . . . . 0.0 111.613 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.18 -143.43 45.94 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.601 0.62 . . . . 0.0 113.193 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -61.22 -23.32 65.54 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -66.91 -38.71 86.74 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.387 0.994 . . . . 0.0 111.735 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -71.54 -39.96 70.37 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.832 0.853 . . . . 0.0 111.031 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.1 -43.86 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.586 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.86 -44.78 92.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.096 0.862 . . . . 0.0 112.74 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.71 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.047 0.84 . . . . 0.0 111.854 174.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.1 -37.03 85.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.642 0.777 . . . . 0.0 111.742 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.89 -45.12 94.02 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.461 1.104 . . . . 0.0 111.628 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.82 -33.49 74.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.927 0.891 . . . . 0.0 112.709 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.01 -42.28 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 111.194 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.54 -25.79 61.51 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.027 -1.046 . . . . 0.0 113.172 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 42.47 97.44 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 120.126 1.33 . . . . 0.0 113.904 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 62.41 15.91 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -68.95 -14.21 62.9 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.689 -1.257 . . . . 0.0 113.869 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 134.38 5.12 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.013 1.768 . . . . 0.0 113.676 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -158.02 171.78 19.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.961 1.704 . . . . 0.0 111.249 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -132.24 142.91 49.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.208 1.403 . . . . 0.0 110.421 173.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -136.71 -15.81 1.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -169.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -73.72 126.17 89.86 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-N 119.392 0.996 . . . . 0.0 112.011 -169.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.41 -22.73 12.17 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.578 2.186 . . . . 0.0 113.791 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 50.61 -101.23 0.09 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.226 2.211 . . . . 0.0 113.191 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.317 4.7 t 49.91 38.08 15.27 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.953 2.101 . . . . 0.0 115.099 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -143.02 142.38 31.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.907 1.683 . . . . 0.0 111.497 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.806 2.442 . . . . 0.0 113.146 -179.414 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -56.96 -49.14 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -168.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.99 -28.87 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -89.82 -50.9 5.78 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.004 0.521 . . . . 0.0 111.069 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.5 -31.46 70.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.25 -1.88 40.91 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.952 0.901 . . . . 0.0 113.096 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -97.75 -50.72 4.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.782 1.233 . . . . 0.0 110.65 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -84.35 -14.73 48.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 113.861 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -148.43 -171.63 3.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.973 1.709 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.0 pt -92.21 152.99 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.98 1.712 . . . . 0.0 112.173 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.7 m -137.31 139.83 41.13 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.347 1.059 . . . . 0.0 112.224 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 p -85.78 164.2 17.72 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.37 1.068 . . . . 0.0 112.395 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.51 -31.07 72.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.439 -0.788 . . . . 0.0 111.955 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -75.59 -34.97 60.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.601 1.16 . . . . 0.0 111.777 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.44 -30.52 69.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.122 0.969 . . . . 0.0 111.557 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.25 -30.96 43.4 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.49 -21.67 65.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.738 1.153 . . . . 0.0 113.497 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -56.22 -29.7 61.34 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.327 1.051 . . . . 0.0 112.669 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -93.74 -6.21 46.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.811 1.245 . . . . 0.0 113.598 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -76.5 1.02 17.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.255 1.422 . . . . 0.0 113.997 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.04 144.75 55.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.733 1.213 . . . . 0.0 112.247 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 C-N-CA 125.396 1.474 . . . . 0.0 113.943 -179.432 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.1 133.64 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.366 1.066 . . . . 0.0 112.178 -175.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -78.8 63.84 3.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.579 1.152 . . . . 0.0 111.388 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -113.72 129.99 56.49 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.336 1.454 . . . . 0.0 112.92 -171.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.08 155.05 18.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.105 1.362 . . . . 0.0 109.827 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.84 -89.17 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.445 1.098 . . . . 0.0 111.591 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 61.92 174.01 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.177 2.591 . . . . 0.0 113.935 -171.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.83 -137.43 46.27 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.153 -0.967 . . . . 0.0 113.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -76.63 -19.17 58.09 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -60.99 -35.94 78.15 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.93 1.241 . . . . 0.0 111.313 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.04 -38.02 89.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.771 1.628 . . . . 0.0 112.392 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.61 -41.34 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.243 1.017 . . . . 0.0 110.986 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.98 -42.53 84.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.444 1.098 . . . . 0.0 112.651 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.56 96.84 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.731 -0.606 . . . . 0.0 111.711 174.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -46.1 91.35 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.106 0.962 . . . . 0.0 110.683 174.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -48.24 78.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.721 1.208 . . . . 0.0 111.557 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.55 -33.15 72.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.391 1.076 . . . . 0.0 112.991 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 t -67.77 -43.23 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.192 0.997 . . . . 0.0 111.346 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.0 m -69.03 -44.3 72.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.782 0.719 . . . . 0.0 112.577 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.04 50.23 5.96 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.461 1.029 . . . . 0.0 112.922 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 59.4 32.45 21.82 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.536 1.534 . . . . 0.0 113.701 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.64 -16.55 59.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 0.0 114.764 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 117.11 0.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.455 1.503 . . . . 0.0 109.957 -167.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -151.93 175.75 12.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.286 1.035 . . . . 0.0 112.73 -169.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -127.99 143.34 51.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.875 1.27 . . . . 0.0 111.252 171.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -110.08 -1.01 17.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.696 1.199 . . . . 0.0 113.459 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -70.13 142.53 90.23 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.787 1.635 . . . . 0.0 110.757 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -62.43 146.2 95.62 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.289 1.993 . . . . 0.0 111.852 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -52.0 61.41 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.29 1.436 . . . . 0.0 112.623 -174.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.8 m 60.58 160.93 0.05 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.965 1.706 . . . . 0.0 113.839 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -77.81 62.12 2.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 C-N-CA 127.215 2.206 . . . . 0.0 110.679 -176.235 . . . . . . . . 1 1 . 1 stop_ save_