data_2m1e_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 2m1e _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tp -70.71 -33.47 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.08 0.952 . . . . 0.0 112.955 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.88 -30.74 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.949 -1.094 . . . . 0.0 112.167 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.71 7.65 3.65 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.909 1.684 . . . . 0.0 113.01 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -128.39 -43.08 1.46 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.026 1.73 . . . . 0.0 112.638 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.68 -12.98 18.72 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -108.43 -38.91 5.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.103 0.961 . . . . 0.0 112.163 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 p -73.85 -29.56 62.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.788 . . . . 0.0 112.428 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -143.46 -177.43 5.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.759 2.424 . . . . 0.0 110.512 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.0 mm -86.38 140.57 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.69 0.796 . . . . 0.0 109.204 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.04 -157.73 0.75 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.952 1.301 . . . . 0.0 113.04 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 t -142.83 150.59 40.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.736 1.615 . . . . 0.0 111.67 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -57.74 -27.58 63.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.723 1.209 . . . . 0.0 113.73 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -73.72 -27.29 61.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.392 -0.818 . . . . 0.0 112.43 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -79.69 -19.47 48.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.013 0.925 . . . . 0.0 111.942 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.47 -41.87 45.65 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.1 0.864 . . . . 0.0 110.502 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.04 -19.65 63.11 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.508 -1.37 . . . . 0.0 114.042 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -56.58 -24.8 49.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.013 0.925 . . . . 0.0 113.408 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -102.25 -3.03 27.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.276 1.43 . . . . 0.0 113.436 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 t -91.12 150.71 21.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.743 1.617 . . . . 0.0 111.98 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t30 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.694 1.998 . . . . 0.0 112.846 178.146 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.885 -0.043 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -75.89 117.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.02 0.928 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -136.04 11.56 3.34 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.947 1.299 . . . . 0.0 113.194 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -79.36 76.02 5.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.551 1.94 . . . . 0.0 113.507 -170.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 54.32 37.51 27.61 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.026 1.33 . . . . 0.0 114.305 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.49 133.25 50.86 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.32 -0.862 . . . . 0.0 108.964 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.4 147.03 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.285 1.034 . . . . 0.0 111.55 -173.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 -127.6 45.3 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.418 0.532 . . . . 0.0 112.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -52.18 -33.36 40.33 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.637 1.175 . . . . 0.0 113.513 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -71.91 -31.89 66.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.371 0.669 . . . . 0.0 112.765 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.93 -39.75 41.81 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.964 0.506 . . . . 0.0 110.787 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.67 -40.84 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.781 0.832 . . . . 0.0 110.877 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -64.18 -40.76 96.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.726 1.21 . . . . 0.0 112.927 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -38.94 77.99 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.454 1.025 . . . . 0.0 111.971 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.96 -39.57 87.28 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 110.995 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -64.24 -42.07 96.69 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.179 0.992 . . . . 0.0 112.452 169.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -30.32 69.33 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.904 0.775 . . . . 0.0 112.158 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -78.39 -46.84 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.28 1.032 . . . . 0.0 111.997 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.59 -33.79 47.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -171.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.54 -143.44 48.07 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.606 1.098 . . . . 0.0 112.972 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -74.67 -0.11 16.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.58 -33.91 77.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.384 1.074 . . . . 0.0 112.982 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 144.94 6.81 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.611 1.577 . . . . 0.0 114.132 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.77 163.82 31.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.004 1.322 . . . . 0.0 113.42 -171.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -100.04 147.32 25.75 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.474 1.51 . . . . 0.0 111.74 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 N--CA 1.469 0.475 0 C-N-CA 124.762 1.225 . . . . 0.0 111.124 174.812 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -66.4 -28.2 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -169.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.55 -31.61 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.422 -0.799 . . . . 0.0 111.733 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.47 8.42 5.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.547 1.539 . . . . 0.0 112.917 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.3 -52.48 1.5 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.808 1.643 . . . . 0.0 112.54 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.97 -17.18 21.21 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -170.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -100.4 -42.94 6.41 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.945 0.898 . . . . 0.0 111.617 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -76.46 -24.31 53.88 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.325 -0.859 . . . . 0.0 113.072 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -146.61 -167.65 2.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.12 2.168 . . . . 0.0 110.027 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.97 142.7 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.356 1.062 . . . . 0.0 110.5 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.97 161.78 32.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.081 1.352 . . . . 0.0 111.855 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 p -101.16 163.78 12.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.006 1.322 . . . . 0.0 112.277 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -53.67 -26.12 21.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.704 1.201 . . . . 0.0 114.001 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -73.96 -30.74 62.68 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.082 0.855 . . . . 0.0 111.663 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -73.62 -26.22 60.68 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.544 0.737 . . . . 0.0 111.775 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.05 -44.23 48.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.677 0.791 . . . . 0.0 111.46 172.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.42 -18.9 64.21 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.56 -19.01 45.47 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.899 0.88 . . . . 0.0 113.011 172.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -109.15 10.51 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -107.96 153.53 22.94 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.303 2.241 . . . . 0.0 113.653 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.708 0.289 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.68 148.05 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.491 1.516 . . . . 0.0 111.833 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -141.09 54.01 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.753 2.021 . . . . 0.0 111.359 -170.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -145.75 62.39 1.26 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.75 1.22 . . . . 0.0 113.898 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 52.0 59.75 4.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.372 1.469 . . . . 0.0 113.702 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.41 131.18 35.27 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.39 1.076 . . . . 0.0 109.452 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 m -136.36 145.87 45.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.486 1.115 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.02 -128.23 47.03 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.328 0.49 . . . . 0.0 112.569 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m -53.79 -30.01 42.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.599 1.16 . . . . 0.0 113.655 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -72.05 -32.65 67.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.786 0.835 . . . . 0.0 112.646 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.76 -33.26 40.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.071 0.948 . . . . 0.0 111.082 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.18 -42.75 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.069 0.948 . . . . 0.0 110.507 169.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -59.97 -44.23 94.59 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.202 1.001 . . . . 0.0 111.828 172.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.14 93.44 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.702 -0.624 . . . . 0.0 112.017 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -46.23 82.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.044 -0.41 . . . . 0.0 111.392 175.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.75 -39.05 83.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.06 0.544 . . . . 0.0 112.287 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 tp -69.46 -29.94 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -85.38 -42.62 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.45 1.1 . . . . 0.0 112.666 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -84.48 -36.91 21.94 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 -138.98 46.79 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.97 0.795 . . . . 0.0 112.91 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.75 -2.3 19.85 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.5 -23.25 64.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.33 1.052 . . . . 0.0 113.614 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.77 144.81 1.77 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.555 1.55 . . . . 0.0 113.798 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.23 160.89 38.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -171.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -123.22 74.07 1.21 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.541 1.936 . . . . 0.0 111.633 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 124.663 1.185 . . . . 0.0 112.386 174.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -88.36 -42.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.01 -31.93 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 121.17 -0.956 . . . . 0.0 112.465 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.81 -9.85 23.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 114.045 171.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -104.4 -54.39 2.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.241 1.416 . . . . 0.0 111.164 171.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.9 -9.52 58.66 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -169.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -101.59 -42.82 6.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.174 0.99 . . . . 0.0 111.144 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.48 -34.57 77.42 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 121.199 -0.938 . . . . 0.0 112.286 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -135.38 -158.33 0.87 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.172 2.189 . . . . 0.0 109.864 173.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.42 147.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.861 1.265 . . . . 0.0 111.509 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -122.8 146.43 47.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.375 1.47 . . . . 0.0 112.923 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -89.66 153.86 20.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.257 1.823 . . . . 0.0 111.325 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.16 -28.8 63.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.17 -27.85 66.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.292 0.637 . . . . 0.0 112.675 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.9 -25.47 43.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.905 1.282 . . . . 0.0 111.873 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.57 -38.77 54.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.456 0.703 . . . . 0.0 111.812 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -59.1 -22.97 61.67 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -60.8 -17.34 48.89 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.832 0.853 . . . . 0.0 113.111 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -101.55 5.16 41.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.689 1.196 . . . . 0.0 113.341 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.98 156.61 19.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.586 1.554 . . . . 0.0 112.463 169.858 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.864 -0.112 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -119.72 140.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.078 1.351 . . . . 0.0 111.754 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -146.31 44.32 1.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.442 1.097 . . . . 0.0 113.379 -168.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -129.42 71.78 1.45 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.161 0.984 . . . . 0.0 112.716 -170.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 48.76 53.91 11.58 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.261 1.424 . . . . 0.0 113.446 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.07 121.76 15.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.281 1.032 . . . . 0.0 110.656 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 141.47 45.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.89 1.276 . . . . 0.0 111.347 -172.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.26 -124.36 32.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.699 0.666 . . . . 0.0 112.725 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -29.17 57.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.237 1.015 . . . . 0.0 113.704 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -75.79 -30.21 58.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.202 0.91 . . . . 0.0 112.335 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.53 -47.15 61.78 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.593 0.757 . . . . 0.0 109.488 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.59 -42.34 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.31 1.044 . . . . 0.0 111.044 173.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.15 -41.01 97.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.353 1.061 . . . . 0.0 112.484 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.67 77.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.486 1.039 . . . . 0.0 112.319 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -45.12 93.9 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.346 -0.846 . . . . 0.0 111.402 175.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -64.94 -35.8 82.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.145 0.978 . . . . 0.0 112.545 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -66.16 -31.99 73.17 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.237 -0.914 . . . . 0.0 111.767 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.58 -43.57 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.564 1.146 . . . . 0.0 112.68 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.27 -14.6 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 -119.2 17.05 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.578 1.081 . . . . 0.0 113.438 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.34 -12.04 60.42 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -72.6 129.66 38.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.865 0.866 . . . . 0.0 109.992 172.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.16 151.84 49.6 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.362 0.506 . . . . 0.0 111.975 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -138.74 152.5 48.02 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.097 0.959 . . . . 0.0 113.353 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -107.49 59.31 0.62 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.568 1.947 . . . . 0.0 112.522 -169.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 t80 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.673 1.189 . . . . 0.0 112.231 178.055 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -84.18 -36.96 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -171.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.69 -36.16 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.053 -1.029 . . . . 0.0 111.974 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 7.6 2.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.295 1.438 . . . . 0.0 114.138 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -127.67 -15.02 5.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.083 1.753 . . . . 0.0 113.987 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -118.57 -22.37 7.55 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.18 -34.37 9.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.466 1.106 . . . . 0.0 112.432 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 -34.68 67.89 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.959 1.303 . . . . 0.0 112.385 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -149.48 160.07 43.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.785 2.434 . . . . 0.0 109.441 171.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 mt -74.38 138.8 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.497 -0.752 . . . . 0.0 111.331 -172.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.17 163.07 17.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.448 . . . . 0.0 113.735 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 t -105.22 156.59 17.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.137 1.775 . . . . 0.0 112.371 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -55.95 -28.64 57.88 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.395 1.478 . . . . 0.0 114.228 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -65.67 -27.25 68.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.485 0.714 . . . . 0.0 112.446 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -81.33 -19.99 41.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.475 . . . . 0.0 112.13 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.5 -34.61 27.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.917 0.887 . . . . 0.0 111.809 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.53 -22.97 57.12 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -59.83 -26.53 65.87 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.521 1.128 . . . . 0.0 113.367 171.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -105.31 -9.49 17.6 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.399 1.48 . . . . 0.0 114.006 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -68.73 141.64 55.2 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.157 0.889 . . . . 0.0 111.844 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.431 1.492 . . . . 0.0 112.22 170.338 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.333 0.111 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 m -78.7 118.42 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.38 0.672 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.97 71.61 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.848 1.659 . . . . 0.0 109.781 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -134.91 66.29 1.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.802 1.641 . . . . 0.0 111.496 -173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 p80 43.05 55.86 4.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.283 1.833 . . . . 0.0 113.87 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.88 124.89 21.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.336 1.454 . . . . 0.0 111.283 -169.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.47 142.42 31.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.734 1.214 . . . . 0.0 110.838 -176.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -123.91 32.14 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.79 0.709 . . . . 0.0 112.701 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.5 p -51.15 -36.06 38.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.925 1.29 . . . . 0.0 113.769 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -73.42 -29.19 62.42 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.739 0.816 . . . . 0.0 112.854 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.99 -47.84 49.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.581 0.752 . . . . 0.0 109.781 173.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.39 -40.84 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.052 0.941 . . . . 0.0 111.24 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.52 -41.53 96.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.139 0.976 . . . . 0.0 112.284 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.57 76.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.974 . . . . 0.0 112.305 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.69 -43.01 94.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.593 -0.692 . . . . 0.0 110.928 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -61.27 -37.34 82.77 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.39 0.995 . . . . 0.0 112.678 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.13 -32.85 74.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.926 0.89 . . . . 0.0 112.01 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.64 -43.95 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.648 1.179 . . . . 0.0 112.694 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 m -84.11 -18.07 38.08 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.37 -126.19 32.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.497 1.046 . . . . 0.0 112.779 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.25 -10.03 59.33 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -91.26 148.22 22.5 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.762 1.225 . . . . 0.0 111.612 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 177.16 33.68 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.226 0.917 . . . . 0.0 114.023 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -157.15 159.93 38.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.392 1.077 . . . . 0.0 113.149 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -89.4 142.92 27.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.74 0.816 . . . . 0.0 111.902 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 125.824 1.65 . . . . 0.0 110.554 172.133 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.1 tt -67.5 -35.92 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.273 1.029 . . . . 0.0 113.301 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.41 -34.43 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.343 1.057 . . . . 0.0 110.973 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -81.33 19.38 0.97 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.762 1.625 . . . . 0.0 113.107 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -128.45 -45.17 1.36 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.095 1.358 . . . . 0.0 113.415 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.51 -15.89 14.34 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -98.12 -27.45 14.19 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.864 0.756 . . . . 0.0 111.704 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p -88.39 -31.08 19.04 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.127 0.971 . . . . 0.0 113.266 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -142.06 -174.82 4.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.924 2.49 . . . . 0.0 110.304 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.4 mm -92.95 124.71 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.099 -1.001 . . . . 0.0 109.216 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -92.96 176.26 6.49 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -130.05 149.42 51.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.996 1.718 . . . . 0.0 110.25 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.89 -26.27 61.92 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.69 -27.04 65.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.706 0.802 . . . . 0.0 112.767 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.36 -33.48 42.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.404 1.082 . . . . 0.0 111.249 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.22 -32.38 70.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.403 0.681 . . . . 0.0 112.835 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.49 -15.4 49.84 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -57.52 -36.14 71.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.2 1.0 . . . . 0.0 112.095 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -96.39 -7.7 34.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.471 1.108 . . . . 0.0 113.663 -169.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -68.67 148.86 49.81 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.138 0.881 . . . . 0.0 112.919 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.252 1.421 . . . . 0.0 112.433 176.186 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.58 144.07 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.864 1.666 . . . . 0.0 110.705 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -145.96 13.76 1.31 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.949 1.7 . . . . 0.0 114.745 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -74.76 90.5 2.34 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.772 1.229 . . . . 0.0 112.093 -169.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.7 p80 47.43 47.69 16.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.624 1.97 . . . . 0.0 113.592 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.87 127.73 33.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 111.025 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -138.64 145.94 41.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.835 0.854 . . . . 0.0 110.567 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -127.74 43.06 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.771 0.7 . . . . 0.0 112.456 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -53.42 -30.59 41.04 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -71.3 -33.05 69.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.057 0.844 . . . . 0.0 112.945 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.69 -37.17 36.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.51 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.32 -39.99 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.217 1.007 . . . . 0.0 110.977 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.09 -37.21 86.61 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.79 1.236 . . . . 0.0 112.494 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.78 72.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.341 -0.849 . . . . 0.0 112.088 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.37 -38.51 81.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.64 -0.662 . . . . 0.0 111.691 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -63.95 -37.85 88.92 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.669 -0.645 . . . . 0.0 112.343 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.96 -35.67 81.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.327 -0.858 . . . . 0.0 112.354 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.93 -44.24 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.407 1.083 . . . . 0.0 112.612 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.1 m -89.37 -18.68 26.39 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -174.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.57 -154.25 45.76 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.64 1.114 . . . . 0.0 114.813 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.73 16.61 0.27 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.74 1.616 . . . . 0.0 114.434 -175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -101.77 -15.39 16.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.908 1.683 . . . . 0.0 112.96 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.5 -173.73 55.2 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.526 1.06 . . . . 0.0 115.029 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -154.44 165.43 36.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.736 1.614 . . . . 0.0 112.242 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.29 89.85 3.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.084 1.754 . . . . 0.0 109.544 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 t80 . . . . . 0 CA--C 1.545 0.759 0 O-C-N 121.541 -0.724 . . . . 0.0 111.164 -176.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.52 -34.07 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.03 -34.75 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.273 -0.892 . . . . 0.0 111.874 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.69 -7.05 41.76 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.924 1.29 . . . . 0.0 113.214 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -125.73 -24.18 3.88 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.5 m -112.61 -14.19 13.21 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -112.72 -43.57 3.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.727 1.211 . . . . 0.0 111.774 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -75.23 -23.66 57.59 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.013 0.824 . . . . 0.0 111.622 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -137.3 174.64 10.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.914 2.085 . . . . 0.0 110.068 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -90.89 142.18 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.924 0.89 . . . . 0.0 109.952 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 p -135.18 161.21 36.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.264 1.026 . . . . 0.0 113.194 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -94.62 163.27 13.45 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.076 1.351 . . . . 0.0 113.725 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.9 -27.73 63.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.69 1.196 . . . . 0.0 113.802 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.15 -27.88 61.05 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.18 -0.95 . . . . 0.0 112.046 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -75.4 -25.13 57.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.465 1.106 . . . . 0.0 111.673 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.56 -35.44 60.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.039 0.836 . . . . 0.0 111.896 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.56 -21.29 65.47 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -58.76 -22.51 58.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.922 0.889 . . . . 0.0 112.595 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.95 0.8 24.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.003 1.721 . . . . 0.0 113.825 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.37 158.37 35.22 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.352 0.978 . . . . 0.0 112.242 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.401 2.28 . . . . 0.0 112.784 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.029 -0.034 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.95 139.56 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.349 1.46 . . . . 0.0 112.363 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -141.22 46.9 1.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.781 1.633 . . . . 0.0 111.666 -169.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -131.25 60.04 1.67 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.795 1.638 . . . . 0.0 112.099 -170.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.0 p80 46.65 52.39 11.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.698 1.999 . . . . 0.0 114.397 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.34 131.37 49.06 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.643 1.177 . . . . 0.0 109.396 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.59 146.48 41.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.255 1.022 . . . . 0.0 111.616 -173.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.51 -126.59 41.62 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.532 0.587 . . . . 0.0 112.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.26 -32.01 35.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.622 1.169 . . . . 0.0 113.729 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -73.49 -32.21 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.819 0.736 . . . . 0.0 112.778 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.28 -35.31 55.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.234 0.614 . . . . 0.0 110.953 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.98 -42.2 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.579 1.152 . . . . 0.0 110.865 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.6 -40.8 97.85 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.365 1.066 . . . . 0.0 112.28 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.83 84.07 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.39 85.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.582 0.753 . . . . 0.0 111.387 173.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.26 -38.53 89.65 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.434 0.694 . . . . 0.0 112.345 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.18 -33.06 74.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.348 1.059 . . . . 0.0 112.178 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -86.21 -46.1 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.541 1.136 . . . . 0.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -81.62 -35.38 30.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 -132.02 52.34 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.781 0.705 . . . . 0.0 112.491 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -5.79 25.57 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.67 -19.73 63.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.057 0.943 . . . . 0.0 113.341 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.89 175.53 15.51 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.359 0.981 . . . . 0.0 113.117 -171.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -161.1 170.07 21.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.239 1.016 . . . . 0.0 113.228 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.51 155.94 33.88 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.535 1.534 . . . . 0.0 110.955 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.437 1.095 . . . . 0.0 111.801 -173.281 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -73.7 -39.01 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.4 -30.82 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.255 -0.903 . . . . 0.0 112.616 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.11 -15.39 63.05 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 113.035 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -102.87 -55.39 2.44 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.69 1.596 . . . . 0.0 111.573 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 m -80.56 -28.2 37.3 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -169.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -74.21 -37.61 63.82 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.44 0.563 . . . . 0.0 110.73 171.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -81.95 -42.49 19.36 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.164 1.386 . . . . 0.0 113.43 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -132.39 6.0 4.1 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt 66.97 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.338 1.855 . . . . 0.0 112.992 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -128.49 145.06 51.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.994 1.318 . . . . 0.0 113.068 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.9 p -86.23 155.79 20.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.173 1.789 . . . . 0.0 110.448 168.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.19 -29.32 65.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.084 -1.01 . . . . 0.0 113.365 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.72 -28.93 69.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.596 1.159 . . . . 0.0 113.749 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -94.97 -4.74 46.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -85.03 -33.87 22.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.446 0.699 . . . . 0.0 110.103 167.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -57.53 -22.14 42.51 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.455 1.102 . . . . 0.0 113.722 172.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -57.27 -27.78 62.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.016 1.326 . . . . 0.0 113.307 171.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -104.13 -10.68 17.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.427 1.491 . . . . 0.0 113.776 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.92 152.56 45.47 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.307 0.958 . . . . 0.0 112.32 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.945 1.698 . . . . 0.0 112.582 175.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.31 138.26 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.305 1.442 . . . . 0.0 112.306 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -142.96 62.28 1.4 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.751 1.221 . . . . 0.0 111.148 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -133.41 66.24 1.56 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.075 1.35 . . . . 0.0 112.412 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 48.79 56.88 7.01 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.299 1.44 . . . . 0.0 113.235 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.16 126.13 28.55 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.641 -0.662 . . . . 0.0 109.786 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -146.56 141.47 27.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.005 . . . . 0.0 111.022 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 -131.5 52.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 122.144 -0.348 . . . . 0.0 112.424 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -51.55 -29.61 17.63 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -73.81 -28.17 61.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.263 -0.898 . . . . 0.0 112.856 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -81.18 -34.4 32.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.299 1.04 . . . . 0.0 111.342 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.66 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.066 0.946 . . . . 0.0 109.855 169.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -40.08 92.31 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.886 1.274 . . . . 0.0 112.59 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.32 91.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.191 -0.943 . . . . 0.0 112.312 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.1 -45.31 89.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.958 0.503 . . . . 0.0 111.689 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -56.98 -41.01 77.61 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.084 0.953 . . . . 0.0 112.532 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 tp -66.07 -37.63 86.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.74 1.216 . . . . 0.0 112.313 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.52 -42.43 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -79.37 -16.42 56.29 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.58 51.02 60.41 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.378 0.99 . . . . 0.0 114.333 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 62.81 9.65 3.77 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.17 -16.39 61.43 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.764 -1.21 . . . . 0.0 113.454 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.17 160.27 36.33 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.596 1.569 . . . . 0.0 113.465 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.37 162.52 33.41 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.193 1.397 . . . . 0.0 112.576 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -91.36 140.84 29.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.24 1.016 . . . . 0.0 111.214 169.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 t80 . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 125.135 1.374 . . . . 0.0 110.581 176.871 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tt -67.99 -36.46 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.847 1.259 . . . . 0.0 113.613 -170.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.14 -35.99 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.287 0.635 . . . . 0.0 111.54 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.17 -17.15 64.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.029 0.932 . . . . 0.0 112.529 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -94.06 -60.63 1.7 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.949 1.3 . . . . 0.0 111.022 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.69 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -171.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -82.17 -33.63 29.41 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.795 0.725 . . . . 0.0 112.139 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.8 m -103.64 -38.59 7.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -127.15 5.07 6.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -168.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 mm 66.41 150.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.361 1.865 . . . . 0.0 112.493 -170.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -138.2 -165.15 1.75 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.622 1.569 . . . . 0.0 111.765 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -145.66 154.68 42.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.186 1.394 . . . . 0.0 111.063 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -60.34 -27.58 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -69.07 -26.17 64.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.954 0.902 . . . . 0.0 112.614 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -81.55 -37.45 27.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.42 1.088 . . . . 0.0 111.17 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.88 -35.68 77.27 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.106 0.866 . . . . 0.0 111.603 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.48 -23.3 64.38 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -65.4 -16.55 63.73 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.234 0.925 . . . . 0.0 112.693 174.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -107.26 -0.23 22.72 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.058 1.743 . . . . 0.0 113.471 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.9 m -69.72 151.82 45.38 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.283 -0.886 . . . . 0.0 111.884 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.4 t30 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.845 1.658 . . . . 0.0 112.511 175.453 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.78 133.44 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.262 1.025 . . . . 0.0 111.623 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -135.46 16.59 3.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.923 1.289 . . . . 0.0 113.264 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.67 89.25 1.32 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.897 1.679 . . . . 0.0 112.917 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 52.38 54.05 11.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.441 1.496 . . . . 0.0 112.262 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.5 mt -77.65 123.55 26.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.433 0.693 . . . . 0.0 110.41 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 m -135.85 139.89 43.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.335 1.054 . . . . 0.0 110.494 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.29 -122.41 21.19 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.402 0.525 . . . . 0.0 112.497 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.62 -32.78 52.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.834 1.254 . . . . 0.0 113.938 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -74.18 -33.27 63.41 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 112.941 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.1 -47.74 56.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.218 0.607 . . . . 0.0 109.503 172.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.49 -38.57 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.899 1.28 . . . . 0.0 111.9 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -41.68 94.33 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.733 1.213 . . . . 0.0 112.397 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.52 71.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.619 -0.676 . . . . 0.0 112.554 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -45.66 93.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.504 0.722 . . . . 0.0 110.818 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -62.14 -39.52 92.87 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.38 0.672 . . . . 0.0 112.278 173.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.0 tp -67.75 -30.54 70.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.393 0.677 . . . . 0.0 112.239 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.0 -50.02 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.431 1.092 . . . . 0.0 112.159 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.33 -30.13 33.96 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.0 -146.8 48.64 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.267 0.937 . . . . 0.0 113.143 -173.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.02 -2.89 8.52 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.79 -31.52 72.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.401 1.48 . . . . 0.0 113.129 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.77 168.01 44.19 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.947 1.261 . . . . 0.0 113.52 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -159.74 174.12 15.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.773 1.629 . . . . 0.0 112.126 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.13 158.86 34.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.999 1.32 . . . . 0.0 111.724 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 CA--C 1.536 0.441 0 C-N-CA 124.945 1.298 . . . . 0.0 111.41 -177.058 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -66.28 -35.61 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.483 -1.01 . . . . 0.0 113.58 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.82 -30.54 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.299 1.04 . . . . 0.0 112.034 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -69.98 -10.61 59.2 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.872 1.269 . . . . 0.0 112.818 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -113.66 -58.28 2.17 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.014 1.326 . . . . 0.0 112.31 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.69 -21.26 21.72 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -170.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -101.9 -41.34 6.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.355 1.062 . . . . 0.0 111.337 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -80.12 -26.89 39.25 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.748 0.819 . . . . 0.0 111.96 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -135.65 -163.25 1.36 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.589 1.956 . . . . 0.0 109.331 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mm -81.87 137.21 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.797 0.839 . . . . 0.0 111.618 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -77.49 155.63 31.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.858 1.263 . . . . 0.0 114.139 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -140.91 131.17 24.96 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.726 1.21 . . . . 0.0 110.665 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.93 -27.61 68.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.342 1.057 . . . . 0.0 113.159 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -67.34 -25.89 66.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.598 0.759 . . . . 0.0 112.422 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -79.67 -39.6 30.99 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.645 0.778 . . . . 0.0 110.75 169.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.13 -20.82 60.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 172.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -71.61 -28.47 63.81 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.085 -1.01 . . . . 0.0 112.877 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.71 -13.63 31.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.103 1.361 . . . . 0.0 112.072 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.3 152.64 32.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.361 1.864 . . . . 0.0 112.908 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.529 1.531 . . . . 0.0 111.371 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.878 -0.106 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.64 141.01 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.373 1.469 . . . . 0.0 112.324 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -149.59 51.66 0.94 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.847 1.259 . . . . 0.0 112.331 -169.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -135.73 56.74 1.82 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.01 1.324 . . . . 0.0 112.484 -170.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 50.11 65.94 1.29 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.418 1.487 . . . . 0.0 112.9 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.52 123.88 27.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.525 0.73 . . . . 0.0 109.722 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -134.93 147.57 49.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.149 1.38 . . . . 0.0 110.803 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.24 -126.63 42.95 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.984 0.802 . . . . 0.0 112.615 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -54.06 -32.36 54.38 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.667 1.187 . . . . 0.0 113.256 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -71.31 -27.47 63.42 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.906 0.882 . . . . 0.0 112.742 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.95 -37.98 28.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.537 0.735 . . . . 0.0 111.557 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.8 -31.55 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.437 -0.79 . . . . 0.0 112.249 169.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.73 -37.13 85.35 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.557 -0.714 . . . . 0.0 111.297 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.98 70.16 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 111.701 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.74 -42.94 98.38 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.095 0.558 . . . . 0.0 111.179 172.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.48 -36.84 85.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.53 -30.59 71.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.874 0.87 . . . . 0.0 112.162 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.88 -42.01 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.0 1.32 . . . . 0.0 112.496 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -90.8 -29.81 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 -140.87 47.95 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.044 0.831 . . . . 0.0 113.533 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.75 -3.9 31.29 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -61.64 -33.24 73.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.504 1.121 . . . . 0.0 113.708 174.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 155.03 5.07 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.615 1.102 . . . . 0.0 113.255 -170.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -139.26 163.47 32.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.502 1.521 . . . . 0.0 112.211 -171.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -123.49 100.39 6.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.416 1.486 . . . . 0.0 109.138 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 121.451 0.643 . . . . 0.0 111.572 176.393 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -72.58 -40.95 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.18 -29.2 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.237 -0.915 . . . . 0.0 112.068 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.07 -6.18 31.93 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.399 1.479 . . . . 0.0 113.378 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -108.85 -53.04 2.69 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.438 1.495 . . . . 0.0 110.243 169.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.43 -32.01 64.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -76.23 -39.27 54.98 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.66 0.664 . . . . 0.0 111.949 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 p -100.86 -32.2 10.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.998 1.319 . . . . 0.0 114.464 -170.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -131.62 7.25 4.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.09 1.356 . . . . 0.0 114.622 -169.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.13 151.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 127.616 2.366 . . . . 0.0 113.984 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.7 m -128.05 140.79 51.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.873 1.669 . . . . 0.0 112.299 171.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.9 p -91.95 162.87 14.22 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.835 1.254 . . . . 0.0 108.639 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.84 -25.88 63.66 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.84 -29.1 67.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.945 0.898 . . . . 0.0 112.445 174.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -75.95 -36.91 59.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.697 0.799 . . . . 0.0 111.396 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.46 -36.5 79.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.394 0.543 . . . . 0.0 112.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.34 -20.82 31.31 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -67.82 -18.15 64.75 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -112.94 -4.29 13.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.153 1.381 . . . . 0.0 113.799 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.5 m -68.41 149.09 49.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.14 0.882 . . . . 0.0 112.551 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 172.184 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.283 0.087 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.7 125.65 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.617 1.567 . . . . 0.0 111.671 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.42 71.59 1.46 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.004 1.722 . . . . 0.0 109.29 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.16 72.59 1.37 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.463 1.505 . . . . 0.0 113.26 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 51.18 53.82 12.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.199 1.399 . . . . 0.0 113.537 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.52 118.11 11.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.959 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -143.95 145.61 32.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.516 1.126 . . . . 0.0 111.124 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.73 -132.75 52.71 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 123.464 0.554 . . . . 0.0 111.932 -172.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -57.36 -25.17 59.02 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -70.26 -30.29 67.3 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.389 -0.82 . . . . 0.0 112.711 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.58 -43.07 66.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.139 0.576 . . . . 0.0 110.08 174.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.88 -43.26 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.527 1.131 . . . . 0.0 110.817 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.05 -43.61 98.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.019 1.328 . . . . 0.0 112.321 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.42 82.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.359 -0.838 . . . . 0.0 112.236 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.91 -45.15 90.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.428 0.558 . . . . 0.0 111.06 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -59.69 -38.85 82.69 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.034 0.834 . . . . 0.0 112.657 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.72 -38.05 88.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.817 1.247 . . . . 0.0 112.123 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.92 -42.57 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.107 0.963 . . . . 0.0 112.639 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.18 -13.05 60.01 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.2 52.74 45.03 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.292 0.949 . . . . 0.0 112.64 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.321 8.3 pt-20 55.54 12.69 0.82 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.647 2.379 . . . . 0.0 117.062 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -69.09 -18.07 63.94 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.751 1.22 . . . . 0.0 113.879 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.68 168.9 43.56 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.662 1.125 . . . . 0.0 113.101 -170.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -158.48 154.82 27.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.963 1.305 . . . . 0.0 111.721 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -77.77 -50.63 11.98 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 112.859 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.265 7.4 p90 . . . . . 0 N--CA 1.481 1.092 0 C-N-CA 128.675 2.79 . . . . 0.0 115.859 -175.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -59.4 -32.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.435 1.494 . . . . 0.0 114.144 -169.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -64.58 -30.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.293 -0.879 . . . . 0.0 112.069 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.11 6.99 6.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.407 1.483 . . . . 0.0 112.623 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -130.67 -38.99 1.28 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 112.961 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.55 -11.4 17.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -171.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.27 -43.61 4.75 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.772 1.229 . . . . 0.0 111.67 171.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.6 p -67.19 -39.27 86.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.761 0.824 . . . . 0.0 111.684 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -122.44 -156.56 0.7 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.605 2.362 . . . . 0.0 107.63 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -129.23 136.78 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.392 1.077 . . . . 0.0 109.62 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.57 150.52 37.88 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.883 1.273 . . . . 0.0 112.703 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -78.24 156.43 29.74 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.559 1.144 . . . . 0.0 112.427 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.46 -27.97 58.36 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.52 -27.57 68.56 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.0 0.92 . . . . 0.0 113.093 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.94 -16.21 51.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.748 1.619 . . . . 0.0 112.08 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.21 -36.18 35.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.255 1.022 . . . . 0.0 111.673 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.04 -28.18 62.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.98 0.912 . . . . 0.0 113.041 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.05 -26.1 59.78 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.991 1.316 . . . . 0.0 113.66 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -104.27 0.06 28.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 0.0 113.269 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -91.0 151.5 21.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.42 1.488 . . . . 0.0 112.659 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.915 1.286 . . . . 0.0 113.537 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 t80 . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.045 0.926 . . . . 0.0 112.967 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.81 65.23 0.92 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.034 1.334 . . . . 0.0 110.157 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -133.81 45.08 2.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.154 1.381 . . . . 0.0 113.117 -169.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 54.12 82.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.556 1.542 . . . . 0.0 111.471 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.03 110.22 14.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.0 0.92 . . . . 0.0 108.878 -173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.83 139.11 52.32 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.17 -120.68 19.01 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.098 0.856 . . . . 0.0 112.654 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -51.28 -36.99 44.91 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.938 1.295 . . . . 0.0 113.726 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -72.12 -35.69 69.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.072 0.851 . . . . 0.0 112.82 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.6 -46.72 71.79 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.798 0.839 . . . . 0.0 109.944 174.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.56 -42.35 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.777 1.231 . . . . 0.0 111.566 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.67 -41.65 97.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.638 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.26 84.87 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.68 -0.637 . . . . 0.0 112.666 175.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.8 96.07 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.898 -0.501 . . . . 0.0 110.635 175.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.44 -37.55 87.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.46 -29.58 69.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.993 0.917 . . . . 0.0 112.365 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -86.42 -42.54 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.988 1.315 . . . . 0.0 112.268 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.3 t -88.18 -32.29 18.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -155.31 53.41 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.32 0.962 . . . . 0.0 112.936 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.32 5.32 5.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -66.56 -25.63 66.73 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.953 1.301 . . . . 0.0 113.749 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.89 152.14 13.57 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.863 1.22 . . . . 0.0 113.754 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -150.69 168.93 22.87 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 112.932 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -102.59 152.91 20.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.689 1.596 . . . . 0.0 111.808 171.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 p90 . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.75 1.22 . . . . 0.0 110.778 169.462 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt -85.28 -31.56 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.57 -33.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.303 -0.873 . . . . 0.0 111.319 -173.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.26 -7.08 21.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.512 1.125 . . . . 0.0 114.014 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -121.41 -29.25 4.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.204 1.402 . . . . 0.0 113.6 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.0 m -106.8 -20.2 13.41 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -103.04 -43.89 5.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 111.602 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -77.26 -27.2 53.11 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.415 -0.803 . . . . 0.0 112.098 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -134.95 179.84 6.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.969 2.108 . . . . 0.0 110.284 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.98 141.74 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.311 1.044 . . . . 0.0 110.25 172.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -134.5 164.41 27.53 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.533 1.133 . . . . 0.0 113.694 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -105.26 154.98 19.51 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.653 1.981 . . . . 0.0 112.897 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.45 -27.03 55.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.64 -28.84 65.12 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.62 -0.675 . . . . 0.0 112.367 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -75.15 -24.61 57.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.784 1.234 . . . . 0.0 111.456 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.44 -35.37 46.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.326 0.65 . . . . 0.0 111.89 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.62 -20.21 65.49 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.1 -12.59 40.69 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.657 0.783 . . . . 0.0 112.946 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -112.32 2.41 16.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.171 1.788 . . . . 0.0 113.797 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -75.17 160.65 30.18 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.572 1.078 . . . . 0.0 111.477 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.385 0 C-N-CA 126.097 1.759 . . . . 0.0 111.011 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.0 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -121.2 140.22 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.072 1.349 . . . . 0.0 112.35 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -145.36 39.38 1.18 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.079 1.351 . . . . 0.0 112.231 -169.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -119.41 63.18 0.8 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.282 1.433 . . . . 0.0 111.434 -170.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 43.71 61.2 2.36 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.598 1.959 . . . . 0.0 113.544 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.05 123.99 22.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.79 1.236 . . . . 0.0 110.968 -174.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -130.39 143.13 50.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.434 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.44 -123.35 32.4 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.863 0.745 . . . . 0.0 112.766 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -53.02 -34.24 55.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.916 1.286 . . . . 0.0 113.071 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -73.86 -29.8 62.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 112.497 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.24 -49.92 38.29 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.222 0.609 . . . . 0.0 109.74 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -66.65 -29.25 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.64 -41.63 95.29 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.418 0.687 . . . . 0.0 111.093 169.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.25 66.67 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.568 -0.707 . . . . 0.0 111.977 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -45.2 92.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.548 0.739 . . . . 0.0 110.942 175.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.3 -37.3 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.372 1.069 . . . . 0.0 112.781 173.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.73 -31.38 72.53 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.687 0.795 . . . . 0.0 112.099 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.59 -45.51 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 112.32 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -81.25 -30.11 34.22 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.221 -0.924 . . . . 0.0 113.429 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.79 -120.98 25.12 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 119.178 0.899 . . . . 0.0 111.718 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.73 -3.2 40.01 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -77.21 40.51 0.27 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.634 1.574 . . . . 0.0 114.571 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.76 -68.38 0.04 OUTLIER Glycine 0 CA--C 1.541 1.705 0 C-N-CA 127.984 2.707 . . . . 0.0 116.783 169.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . 0.317 1.9 p90 60.89 159.77 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 131.154 3.782 . . . . 0.0 118.546 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -127.69 148.77 50.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.303 1.841 . . . . 0.0 112.071 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 126.197 1.799 . . . . 0.0 111.147 172.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tt -84.25 -28.99 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.8 140.92 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.865 0.866 . . . . 0.0 109.453 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 55.23 32.31 18.29 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -132.19 -52.67 0.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.993 1.317 . . . . 0.0 111.835 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.7 m -96.82 -4.36 40.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.332 1.053 . . . . 0.0 113.755 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.04 -50.4 4.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.819 1.647 . . . . 0.0 111.715 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 p -80.91 -21.88 40.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.099 1.36 . . . . 0.0 113.441 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -140.9 -174.26 3.94 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.918 2.087 . . . . 0.0 110.279 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.16 142.79 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.882 1.273 . . . . 0.0 111.742 -177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.82 -174.12 2.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.298 1.839 . . . . 0.0 112.845 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -138.12 153.02 49.28 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.915 1.686 . . . . 0.0 108.933 169.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -22.38 61.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.22 -28.17 67.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.142 0.977 . . . . 0.0 113.472 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -92.89 -2.91 55.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -84.74 -41.57 16.07 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 167.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.98 -26.48 48.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.445 171.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -53.66 -29.65 39.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.913 1.285 . . . . 0.0 113.245 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -102.15 -1.05 32.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.159 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -79.17 147.07 32.79 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.163 -0.961 . . . . 0.0 112.855 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.07 1.348 . . . . 0.0 112.083 172.303 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -64.53 112.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 122.078 0.942 . . . . 0.0 113.305 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.74 12.96 2.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.965 1.706 . . . . 0.0 113.257 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -77.12 77.76 3.65 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.685 1.994 . . . . 0.0 113.361 -170.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 53.26 46.53 26.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.032 1.333 . . . . 0.0 113.55 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.04 131.51 40.64 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.275 -0.891 . . . . 0.0 109.769 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.35 147.13 51.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.187 1.395 . . . . 0.0 111.052 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.38 -126.66 42.79 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 123.776 0.703 . . . . 0.0 112.628 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -53.53 -28.65 32.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.534 1.134 . . . . 0.0 113.87 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -75.84 -31.54 59.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.844 0.747 . . . . 0.0 112.432 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.74 -36.93 56.79 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.808 0.843 . . . . 0.0 110.466 176.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.18 -42.15 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.622 1.169 . . . . 0.0 110.257 168.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.76 -38.06 89.71 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.749 1.22 . . . . 0.0 113.043 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.46 87.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.561 1.073 . . . . 0.0 111.362 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.64 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.075 -0.391 . . . . 0.0 111.181 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -62.45 -38.85 91.39 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.097 0.959 . . . . 0.0 112.358 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 tp -67.44 -29.28 68.71 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.559 -0.713 . . . . 0.0 112.242 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.25 -45.3 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.471 1.108 . . . . 0.0 112.642 174.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 t -94.76 -23.65 17.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -168.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.8 -152.66 51.66 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 121.328 -0.858 . . . . 0.0 113.192 -171.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.17 1.05 19.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.86 1.429 . . . . 0.0 114.86 -171.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -74.55 -11.19 60.15 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.98 161.9 24.49 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.99 1.281 . . . . 0.0 113.649 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.83 156.6 36.5 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.149 0.98 . . . . 0.0 113.075 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -90.13 41.27 1.04 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 113.617 -169.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 171.846 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.33 -40.47 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -171.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.19 -33.0 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.325 -0.86 . . . . 0.0 111.656 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.8 -12.93 58.08 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.305 1.442 . . . . 0.0 112.946 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -109.68 -40.62 4.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.633 1.173 . . . . 0.0 113.438 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -95.87 -17.95 20.72 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -115.77 -41.7 3.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.302 1.041 . . . . 0.0 112.648 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -74.22 -24.97 59.41 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.408 -0.808 . . . . 0.0 111.452 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -134.14 -163.08 1.32 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.405 2.282 . . . . 0.0 108.617 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mt -115.11 137.6 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.888 1.275 . . . . 0.0 109.519 171.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -120.86 159.61 25.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.797 1.239 . . . . 0.0 113.543 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -94.81 155.19 16.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.863 1.665 . . . . 0.0 112.15 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.74 -28.92 37.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.197 1.399 . . . . 0.0 114.44 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -63.64 -28.73 70.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 112.814 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -78.97 -23.92 44.21 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.6 1.56 . . . . 0.0 111.724 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.81 -38.27 46.79 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.469 1.108 . . . . 0.0 111.881 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.29 -25.71 59.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.71 -20.26 63.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.515 1.126 . . . . 0.0 113.697 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.26 2.5 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.509 1.524 . . . . 0.0 113.095 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.55 140.03 30.13 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.762 1.625 . . . . 0.0 112.676 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 128.72 2.808 . . . . 0.0 115.226 171.612 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.74 139.43 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.744 1.618 . . . . 0.0 111.702 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -142.66 56.87 1.43 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.089 1.756 . . . . 0.0 111.276 -169.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -133.58 59.55 1.73 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.552 1.541 . . . . 0.0 113.04 -169.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 48.64 56.53 7.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.396 1.478 . . . . 0.0 113.549 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.83 121.21 14.97 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.095 -1.003 . . . . 0.0 109.665 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.59 144.56 37.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.897 1.279 . . . . 0.0 111.34 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.63 39.81 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.346 0.498 . . . . 0.0 112.591 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 p -51.69 -33.11 32.61 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.959 1.303 . . . . 0.0 113.9 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -75.1 -28.17 60.14 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.572 -0.705 . . . . 0.0 112.509 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.55 -34.61 46.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.389 0.676 . . . . 0.0 110.938 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.61 -43.94 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.178 0.991 . . . . 0.0 110.276 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.69 -40.94 98.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.197 0.999 . . . . 0.0 111.861 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.83 -37.4 81.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.992 0.815 . . . . 0.0 112.803 175.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -41.46 95.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.37 -0.831 . . . . 0.0 111.235 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.92 -36.57 84.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.07 -33.17 73.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.024 0.93 . . . . 0.0 112.2 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -90.4 -41.2 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.981 1.312 . . . . 0.0 113.085 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -98.55 -23.38 15.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.082 1.353 . . . . 0.0 114.622 -170.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.38 -142.24 47.88 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.317 -0.864 . . . . 0.0 113.183 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.04 0.5 15.79 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.58 -4.06 46.91 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -172.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 146.47 2.84 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.509 1.528 . . . . 0.0 113.883 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -147.01 159.01 44.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.986 0.915 . . . . 0.0 112.972 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -127.03 48.7 2.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.774 1.63 . . . . 0.0 111.771 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 124.122 0.969 . . . . 0.0 111.69 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.16 -27.62 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.06 -35.92 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.919 -1.113 . . . . 0.0 111.667 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.89 15.02 1.54 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.929 1.292 . . . . 0.0 112.972 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -133.47 -31.4 1.22 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.656 1.582 . . . . 0.0 113.122 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -113.07 -18.85 12.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.692 1.597 . . . . 0.0 114.809 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.0 t -100.08 -30.63 11.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.528 1.058 . . . . 0.0 112.334 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -79.16 -31.58 44.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.769 1.228 . . . . 0.0 112.886 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -150.98 173.77 13.91 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.294 2.238 . . . . 0.0 109.712 172.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -76.6 142.12 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.442 -0.786 . . . . 0.0 111.023 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -126.76 162.78 25.03 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.51 1.524 . . . . 0.0 112.568 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.1 p -107.6 155.78 19.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.369 1.867 . . . . 0.0 112.226 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.5 -29.82 38.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.122 1.369 . . . . 0.0 114.223 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -64.96 -25.6 67.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.141 0.976 . . . . 0.0 112.926 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -78.27 -19.12 54.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.141 1.376 . . . . 0.0 112.182 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.98 -27.68 28.27 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.965 0.906 . . . . 0.0 111.902 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.75 -26.45 67.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.537 0.735 . . . . 0.0 112.591 174.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.24 -24.12 66.13 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.083 1.353 . . . . 0.0 113.4 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -103.97 -3.47 24.63 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.955 1.702 . . . . 0.0 113.305 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.39 150.4 25.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.622 1.569 . . . . 0.0 111.833 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.571 1.148 . . . . 0.0 112.774 173.01 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.849 -0.056 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.74 131.61 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.19 1.396 . . . . 0.0 112.511 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.4 49.63 1.99 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.215 1.406 . . . . 0.0 110.529 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -133.64 71.71 1.47 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.032 1.333 . . . . 0.0 113.416 -169.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 43.66 52.61 6.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.631 1.972 . . . . 0.0 113.799 170.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.47 131.94 51.8 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.183 1.393 . . . . 0.0 111.175 -172.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 141.59 27.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.238 0.615 . . . . 0.0 111.202 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.21 -125.13 35.11 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 123.817 0.723 . . . . 0.0 112.132 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -51.79 -35.8 45.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.878 1.271 . . . . 0.0 114.024 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -70.43 -30.74 67.67 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.5 tp -82.99 -42.78 17.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.462 0.705 . . . . 0.0 110.572 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.03 -40.38 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.336 1.054 . . . . 0.0 111.54 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -37.36 81.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.847 1.259 . . . . 0.0 112.536 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.29 -39.28 65.46 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.394 -0.816 . . . . 0.0 112.81 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.9 -42.01 98.58 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.67 -0.644 . . . . 0.0 110.886 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.98 -39.36 94.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -33.9 77.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.481 0.712 . . . . 0.0 112.465 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -85.74 -43.34 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.621 1.168 . . . . 0.0 112.585 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -91.58 -27.2 18.32 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.94 -139.49 48.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.413 1.006 . . . . 0.0 113.646 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.38 -3.29 26.38 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -67.69 -28.71 67.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.111 0.964 . . . . 0.0 113.167 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.94 6.24 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.087 1.327 . . . . 0.0 113.565 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -140.26 165.4 27.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.164 1.386 . . . . 0.0 112.55 -172.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -128.56 112.74 14.63 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.101 1.36 . . . . 0.0 110.422 -173.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 124.187 0.995 . . . . 0.0 113.601 -173.739 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 CA-C-O 121.218 0.343 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.51 -38.85 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.389 1.075 . . . . 0.0 113.29 -173.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.72 -31.63 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.322 -0.861 . . . . 0.0 112.005 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.36 -7.62 32.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.296 1.438 . . . . 0.0 113.078 173.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.83 -57.97 1.97 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.845 1.658 . . . . 0.0 110.388 170.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.67 55.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.3 -40.49 7.9 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.743 0.817 . . . . 0.0 111.95 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -68.01 -29.52 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.139 0.976 . . . . 0.0 112.266 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -133.52 -126.63 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.175 1.39 . . . . 0.0 109.743 169.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mt -139.92 142.72 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.133 1.773 . . . . 0.0 107.888 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.06 152.87 52.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.699 0.8 . . . . 0.0 112.803 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.7 p -100.21 169.03 9.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.153 1.781 . . . . 0.0 113.161 -174.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.84 -27.89 32.46 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -72.18 -28.24 63.09 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.817 0.847 . . . . 0.0 112.277 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -81.49 -25.31 36.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.59 1.156 . . . . 0.0 111.916 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -74.4 -39.97 62.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.874 0.761 . . . . 0.0 112.147 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.26 -18.22 60.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.03 -20.2 50.92 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.681 0.792 . . . . 0.0 112.708 170.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -106.8 13.36 27.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.611 1.164 . . . . 0.0 113.513 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.54 163.96 18.0 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 C-N-CA 124.935 1.294 . . . . 0.0 111.29 169.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.3 m -68.04 122.74 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.1 0.96 . . . . 0.0 113.295 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -137.25 66.4 1.46 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.12 1.768 . . . . 0.0 109.226 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -139.0 60.55 1.59 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.651 1.181 . . . . 0.0 113.017 -169.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 48.81 49.36 19.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.21 1.404 . . . . 0.0 113.823 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.8 122.54 15.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.338 1.055 . . . . 0.0 111.397 -170.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.79 142.9 38.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.139 0.976 . . . . 0.0 111.179 -176.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.39 -124.74 26.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.872 0.749 . . . . 0.0 112.351 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -53.93 -31.4 50.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.981 1.312 . . . . 0.0 113.769 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.72 -34.86 67.37 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 112.577 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.15 -44.37 65.67 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.4 -41.89 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.015 0.926 . . . . 0.0 111.718 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.62 -41.73 91.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.789 1.236 . . . . 0.0 111.699 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.37 -36.98 71.65 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -42.45 98.43 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.307 -0.87 . . . . 0.0 110.745 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.63 -33.5 75.09 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.23 -30.69 70.67 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.125 -0.984 . . . . 0.0 112.112 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.38 -44.5 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.607 1.163 . . . . 0.0 112.497 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.3 m -108.53 -18.03 13.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -169.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.36 -131.11 48.64 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.62 1.105 . . . . 0.0 113.772 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.85 -2.54 27.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -67.75 -28.05 67.3 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.445 1.021 . . . . 0.0 113.011 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.54 153.46 15.23 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.015 1.293 . . . . 0.0 113.764 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -154.28 170.13 22.02 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.325 1.45 . . . . 0.0 113.045 -172.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -115.95 153.73 31.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.315 1.846 . . . . 0.0 111.946 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 125.5 1.52 . . . . 0.0 110.581 169.436 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 tt -76.05 -35.47 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -172.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.23 -29.36 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 120.91 -1.119 . . . . 0.0 111.744 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.67 5.07 5.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.482 1.913 . . . . 0.0 113.452 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -128.09 -43.64 1.48 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 112.234 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.31 -6.24 23.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -169.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.1 -37.93 5.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.743 1.217 . . . . 0.0 111.851 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 p -71.85 -30.7 65.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.72 172.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -138.19 -163.62 1.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.5 2.32 . . . . 0.0 109.242 171.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.33 141.81 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.971 1.309 . . . . 0.0 111.629 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.0 m -122.09 147.31 46.28 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.307 1.843 . . . . 0.0 112.675 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -90.07 164.24 14.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.072 1.349 . . . . 0.0 110.508 169.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.27 -26.31 60.63 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -68.76 -29.46 67.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.947 0.899 . . . . 0.0 112.563 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -77.22 -27.11 53.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.92 0.888 . . . . 0.0 111.878 171.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.55 -33.01 54.23 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.749 0.704 . . . . 0.0 112.321 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.86 -25.44 65.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -58.95 -22.81 60.78 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.295 1.038 . . . . 0.0 112.963 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -105.25 -3.84 22.38 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.764 1.625 . . . . 0.0 113.811 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.33 147.25 49.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.922 0.783 . . . . 0.0 111.276 169.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 125.825 1.65 . . . . 0.0 111.673 172.443 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.871 -0.109 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.85 136.89 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 0.0 111.736 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 65.46 0.91 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.493 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.24 -53.86 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -178.45 51.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.154 2.182 . . . . 0.0 110.527 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.28 120.04 18.35 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.486 -1.384 . . . . 0.0 111.514 -169.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.45 143.32 39.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 111.539 -175.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.41 -123.73 32.49 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.773 0.701 . . . . 0.0 112.399 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.44 -33.51 44.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.88 1.272 . . . . 0.0 113.294 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -76.99 -28.78 55.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.995 0.918 . . . . 0.0 112.477 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.18 -50.79 44.37 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.526 0.73 . . . . 0.0 109.726 173.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.24 -30.18 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.48 -39.88 92.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.551 0.74 . . . . 0.0 111.617 169.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.69 -35.28 67.62 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.68 -0.637 . . . . 0.0 112.102 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.53 88.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.139 174.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -60.68 -40.1 90.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.354 1.062 . . . . 0.0 112.367 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.05 -29.27 70.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.743 0.817 . . . . 0.0 112.166 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.31 -45.93 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.599 1.16 . . . . 0.0 112.456 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.79 -20.35 46.39 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.385 0.993 . . . . 0.0 113.584 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.64 -117.5 11.17 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 112.436 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.62 -11.9 60.1 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -86.42 150.23 24.45 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.655 1.182 . . . . 0.0 112.025 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.3 173.4 46.14 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.207 0.908 . . . . 0.0 113.74 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -151.46 165.01 35.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.908 1.283 . . . . 0.0 112.17 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -115.41 148.29 39.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.787 1.235 . . . . 0.0 112.42 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.548 0.897 0 C-N-CA 126.61 1.964 . . . . 0.0 110.917 -175.448 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.3 tt -79.15 -31.74 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.325 1.05 . . . . 0.0 113.302 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.81 -33.75 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.337 -0.852 . . . . 0.0 111.409 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.78 8.48 2.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.319 1.848 . . . . 0.0 113.737 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -128.16 -48.79 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.509 1.524 . . . . 0.0 111.793 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.5 m -92.96 -20.14 20.91 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -171.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -106.77 -37.22 6.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.39 1.076 . . . . 0.0 112.046 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -78.81 -23.29 45.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.673 0.789 . . . . 0.0 112.853 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 t -139.3 -158.9 0.9 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.53 2.332 . . . . 0.0 108.704 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.81 137.5 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.088 1.355 . . . . 0.0 109.855 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.4 165.37 16.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.244 1.417 . . . . 0.0 112.984 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -106.22 152.9 22.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.07 1.748 . . . . 0.0 112.609 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -26.62 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.683 1.193 . . . . 0.0 114.131 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.39 -26.36 66.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.855 0.862 . . . . 0.0 112.793 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -75.05 -35.91 61.85 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.469 1.108 . . . . 0.0 111.109 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.99 -32.23 73.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.296 0.639 . . . . 0.0 112.274 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.91 -22.87 62.97 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.14 -21.57 64.91 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.307 -0.871 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -100.76 -7.04 24.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.198 1.799 . . . . 0.0 113.243 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -77.22 146.11 37.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.577 1.151 . . . . 0.0 110.792 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.768 1.227 . . . . 0.0 114.185 -175.87 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.054 -0.022 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 m -121.07 135.35 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.456 1.502 . . . . 0.0 112.372 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -140.38 56.23 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.878 1.671 . . . . 0.0 111.149 -168.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -129.92 59.93 1.61 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.318 1.447 . . . . 0.0 111.182 -170.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.4 p80 42.73 60.4 2.45 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.549 1.94 . . . . 0.0 113.165 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.47 128.27 35.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.762 1.625 . . . . 0.0 111.369 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -135.65 146.33 47.72 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.078 0.951 . . . . 0.0 110.866 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.6 -123.98 30.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.736 0.684 . . . . 0.0 112.648 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -50.16 -36.77 31.6 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.556 1.543 . . . . 0.0 113.545 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -71.5 -31.64 67.33 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.774 0.83 . . . . 0.0 112.964 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.96 -39.45 34.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.063 0.945 . . . . 0.0 110.741 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.86 -31.65 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.97 -37.14 81.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.945 0.898 . . . . 0.0 111.887 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.18 -32.87 61.36 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.603 -0.686 . . . . 0.0 112.387 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -40.55 96.59 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.591 -0.693 . . . . 0.0 111.168 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -64.49 -36.4 84.07 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.136 0.974 . . . . 0.0 112.639 172.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.36 -34.4 78.24 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.156 -0.965 . . . . 0.0 112.496 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.15 -44.88 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.869 1.268 . . . . 0.0 112.703 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.0 t -90.8 -12.68 35.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.01 1.324 . . . . 0.0 113.846 -174.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.91 -148.46 48.0 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.301 0.953 . . . . 0.0 112.637 -173.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.54 -1.22 15.12 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -77.76 149.76 34.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.115 1.366 . . . . 0.0 112.178 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.55 73.71 1.37 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.116 1.341 . . . . 0.0 115.024 -172.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -61.33 162.0 8.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.28 1.032 . . . . 0.0 112.231 169.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -111.22 150.74 29.13 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.42 1.088 . . . . 0.0 112.278 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 125.249 1.42 . . . . 0.0 110.781 -175.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -75.54 -33.36 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -169.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.29 -28.54 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.75 -1.219 . . . . 0.0 111.798 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -73.09 11.57 0.69 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.099 1.76 . . . . 0.0 113.935 169.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -129.11 -46.04 1.24 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.964 1.706 . . . . 0.0 110.909 169.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -81.78 -23.33 36.64 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -111.02 -39.39 4.8 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.525 1.057 . . . . 0.0 113.305 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -72.33 -24.09 61.25 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.839 0.856 . . . . 0.0 112.494 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -133.95 -154.95 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.644 2.378 . . . . 0.0 108.566 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.97 134.2 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.872 1.269 . . . . 0.0 109.628 172.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.7 164.44 13.03 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.021 1.328 . . . . 0.0 112.965 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -113.9 153.2 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.934 1.694 . . . . 0.0 112.234 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -28.6 63.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.529 1.132 . . . . 0.0 113.929 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -68.04 -25.64 65.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.603 0.761 . . . . 0.0 112.727 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -80.89 -36.72 30.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.042 1.337 . . . . 0.0 111.072 170.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.82 -33.73 75.83 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.646 0.657 . . . . 0.0 112.365 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.58 -16.73 41.01 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 173.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -69.6 -21.41 63.59 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.449 1.022 . . . . 0.0 112.765 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -105.09 -11.77 16.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.339 1.456 . . . . 0.0 113.407 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.15 147.95 51.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.62 0.768 . . . . 0.0 112.294 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.432 1.493 . . . . 0.0 112.582 177.119 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.785 -0.15 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.77 135.39 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.791 1.637 . . . . 0.0 111.416 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -135.52 56.77 1.82 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.677 1.991 . . . . 0.0 111.285 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -126.81 64.58 1.28 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.306 1.443 . . . . 0.0 111.995 -169.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 p80 42.82 55.6 4.28 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.58 1.952 . . . . 0.0 113.242 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.07 118.65 6.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.865 1.666 . . . . 0.0 112.0 -169.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.89 143.43 42.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.132 1.373 . . . . 0.0 111.277 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.09 -126.29 38.3 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.824 0.726 . . . . 0.0 112.483 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.37 -27.51 47.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.495 1.118 . . . . 0.0 113.672 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -75.81 -29.08 58.57 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.107 0.867 . . . . 0.0 112.587 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.16 -43.38 61.61 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.662 0.785 . . . . 0.0 109.986 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.29 -43.1 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 110.706 172.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.14 -41.6 97.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.656 1.182 . . . . 0.0 112.351 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -41.29 77.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 112.623 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.53 -40.66 96.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.49 -0.756 . . . . 0.0 111.437 173.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.66 -37.12 86.12 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.46 1.027 . . . . 0.0 112.867 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.39 -33.69 76.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.086 0.955 . . . . 0.0 112.259 177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -87.47 -44.75 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.243 1.017 . . . . 0.0 112.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -88.43 -19.62 26.31 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -173.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.97 -146.17 49.07 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.689 1.138 . . . . 0.0 114.172 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -57.61 -26.47 61.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.48 1.512 . . . . 0.0 114.472 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.08 -20.51 62.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.551 1.14 . . . . 0.0 113.408 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.85 -175.18 54.58 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.685 1.136 . . . . 0.0 114.351 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -157.82 163.36 38.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.061 1.344 . . . . 0.0 112.746 -170.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -90.01 145.1 25.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.391 1.476 . . . . 0.0 111.222 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 t80 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 125.194 1.397 . . . . 0.0 109.941 171.366 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.97 -39.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.67 -30.68 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.532 -0.73 . . . . 0.0 112.449 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.74 -14.83 63.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.668 1.187 . . . . 0.0 113.156 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -102.39 -54.47 2.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.109 1.363 . . . . 0.0 111.786 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.1 -28.32 39.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -168.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.98 -30.72 28.0 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.75 0.705 . . . . 0.0 111.698 173.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 m -87.54 -41.6 13.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.762 1.225 . . . . 0.0 113.406 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -130.25 3.56 4.74 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt 67.71 148.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.054 2.142 . . . . 0.0 113.349 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -132.63 141.04 48.46 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.651 1.58 . . . . 0.0 113.241 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.1 p -86.81 165.09 16.26 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.242 1.417 . . . . 0.0 109.843 168.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.9 -28.53 37.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -70.41 -29.97 66.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.795 0.838 . . . . 0.0 112.545 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -74.72 -36.11 62.68 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.273 0.629 . . . . 0.0 111.164 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.66 -36.92 79.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.43 0.692 . . . . 0.0 111.843 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.72 -18.28 53.43 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.54 -16.68 63.92 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.248 -0.907 . . . . 0.0 113.208 175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -115.38 3.3 14.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.521 1.529 . . . . 0.0 114.301 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.6 m -74.5 149.25 40.36 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.151 -0.968 . . . . 0.0 112.688 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.263 0.7 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.743 2.417 . . . . 0.0 115.245 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 p90 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.8 163.07 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.556 . . . . 0.0 111.639 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -111.05 58.87 0.61 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.198 1.399 . . . . 0.0 109.347 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -122.58 47.38 1.95 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.66 1.584 . . . . 0.0 114.109 -169.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 p80 44.87 52.0 8.27 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.082 1.753 . . . . 0.0 114.295 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.16 135.94 56.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.904 1.282 . . . . 0.0 110.508 -173.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.51 140.54 33.5 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.66 1.184 . . . . 0.0 111.593 -173.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.98 -121.29 18.2 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.866 0.746 . . . . 0.0 112.853 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -51.63 -37.07 48.51 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.355 1.462 . . . . 0.0 113.306 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -73.73 -29.56 62.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.572 0.749 . . . . 0.0 112.585 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.94 -43.84 42.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.425 0.69 . . . . 0.0 110.788 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 m -68.06 -31.82 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.65 -39.21 90.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.409 0.683 . . . . 0.0 111.758 171.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 -38.21 63.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.16 0.584 . . . . 0.0 111.844 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 tp -65.25 -43.3 91.81 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.694 1.198 . . . . 0.0 111.012 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.27 -39.74 93.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.812 0.845 . . . . 0.0 112.368 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.62 -28.3 66.78 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.663 -0.648 . . . . 0.0 112.375 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -84.24 -44.47 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.164 0.985 . . . . 0.0 112.165 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.03 -23.65 38.46 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.65 -148.65 47.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.106 1.336 . . . . 0.0 114.249 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.42 -7.13 17.38 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -80.12 -8.85 59.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.011 1.324 . . . . 0.0 113.578 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.58 175.34 40.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.095 1.331 . . . . 0.0 114.589 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -153.27 163.52 39.76 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.833 1.253 . . . . 0.0 112.823 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -108.14 150.49 27.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.739 1.616 . . . . 0.0 110.689 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 t80 . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 0.0 110.789 177.227 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tp -70.71 -33.47 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.08 0.952 . . . . 0.0 112.955 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.88 -30.74 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.949 -1.094 . . . . 0.0 112.167 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.71 7.65 3.65 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.909 1.684 . . . . 0.0 113.01 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -128.39 -43.08 1.46 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.026 1.73 . . . . 0.0 112.638 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.68 -12.98 18.72 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -108.43 -38.91 5.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.103 0.961 . . . . 0.0 112.163 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 p -73.85 -29.56 62.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.788 . . . . 0.0 112.428 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -143.46 -177.43 5.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.759 2.424 . . . . 0.0 110.512 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.0 mm -86.38 140.57 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.69 0.796 . . . . 0.0 109.204 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.04 -157.73 0.75 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.952 1.301 . . . . 0.0 113.04 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 t -142.83 150.59 40.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.736 1.615 . . . . 0.0 111.67 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -57.74 -27.58 63.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.723 1.209 . . . . 0.0 113.73 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -73.72 -27.29 61.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.392 -0.818 . . . . 0.0 112.43 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -79.69 -19.47 48.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.013 0.925 . . . . 0.0 111.942 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.47 -41.87 45.65 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.1 0.864 . . . . 0.0 110.502 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.04 -19.65 63.11 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.508 -1.37 . . . . 0.0 114.042 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -56.58 -24.8 49.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.013 0.925 . . . . 0.0 113.408 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -102.25 -3.03 27.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.276 1.43 . . . . 0.0 113.436 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 t -91.12 150.71 21.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.743 1.617 . . . . 0.0 111.98 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t30 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.694 1.998 . . . . 0.0 112.846 178.146 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.885 -0.043 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -75.89 117.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.02 0.928 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -136.04 11.56 3.34 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.947 1.299 . . . . 0.0 113.194 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -79.36 76.02 5.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.551 1.94 . . . . 0.0 113.507 -170.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 54.32 37.51 27.61 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.026 1.33 . . . . 0.0 114.305 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.49 133.25 50.86 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.32 -0.862 . . . . 0.0 108.964 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.4 147.03 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.285 1.034 . . . . 0.0 111.55 -173.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 -127.6 45.3 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.418 0.532 . . . . 0.0 112.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -52.18 -33.36 40.33 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.637 1.175 . . . . 0.0 113.513 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -71.91 -31.89 66.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.371 0.669 . . . . 0.0 112.765 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.93 -39.75 41.81 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.964 0.506 . . . . 0.0 110.787 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.67 -40.84 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.781 0.832 . . . . 0.0 110.877 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -64.18 -40.76 96.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.726 1.21 . . . . 0.0 112.927 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -38.94 77.99 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.454 1.025 . . . . 0.0 111.971 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.96 -39.57 87.28 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 110.995 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -64.24 -42.07 96.69 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.179 0.992 . . . . 0.0 112.452 169.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -30.32 69.33 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.904 0.775 . . . . 0.0 112.158 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -78.39 -46.84 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.28 1.032 . . . . 0.0 111.997 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.59 -33.79 47.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -171.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.54 -143.44 48.07 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.606 1.098 . . . . 0.0 112.972 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -74.67 -0.11 16.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.58 -33.91 77.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.384 1.074 . . . . 0.0 112.982 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 144.94 6.81 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.611 1.577 . . . . 0.0 114.132 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.77 163.82 31.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.004 1.322 . . . . 0.0 113.42 -171.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -100.04 147.32 25.75 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.474 1.51 . . . . 0.0 111.74 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.37 145.68 37.44 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.762 1.225 . . . . 0.0 111.124 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -150.49 152.69 34.6 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.361 1.064 . . . . 0.0 112.276 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -140.35 134.3 15.34 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 126.692 1.997 . . . . 0.0 110.496 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.34 146.72 96.01 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.492 2.794 . . . . 0.0 113.581 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.877 1.671 . . . . 0.0 110.841 178.72 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -66.4 -28.2 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -169.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.55 -31.61 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.422 -0.799 . . . . 0.0 111.733 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.47 8.42 5.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.547 1.539 . . . . 0.0 112.917 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.3 -52.48 1.5 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.808 1.643 . . . . 0.0 112.54 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.97 -17.18 21.21 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -170.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -100.4 -42.94 6.41 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.945 0.898 . . . . 0.0 111.617 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -76.46 -24.31 53.88 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.325 -0.859 . . . . 0.0 113.072 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -146.61 -167.65 2.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.12 2.168 . . . . 0.0 110.027 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.97 142.7 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.356 1.062 . . . . 0.0 110.5 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.97 161.78 32.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.081 1.352 . . . . 0.0 111.855 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 p -101.16 163.78 12.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.006 1.322 . . . . 0.0 112.277 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -53.67 -26.12 21.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.704 1.201 . . . . 0.0 114.001 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -73.96 -30.74 62.68 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.082 0.855 . . . . 0.0 111.663 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -73.62 -26.22 60.68 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.544 0.737 . . . . 0.0 111.775 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.05 -44.23 48.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.677 0.791 . . . . 0.0 111.46 172.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.42 -18.9 64.21 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.56 -19.01 45.47 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.899 0.88 . . . . 0.0 113.011 172.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -109.15 10.51 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -107.96 153.53 22.94 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.303 2.241 . . . . 0.0 113.653 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.708 0.289 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.68 148.05 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.491 1.516 . . . . 0.0 111.833 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -141.09 54.01 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.753 2.021 . . . . 0.0 111.359 -170.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -145.75 62.39 1.26 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.75 1.22 . . . . 0.0 113.898 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 52.0 59.75 4.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.372 1.469 . . . . 0.0 113.702 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.41 131.18 35.27 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.39 1.076 . . . . 0.0 109.452 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 m -136.36 145.87 45.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.486 1.115 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.02 -128.23 47.03 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.328 0.49 . . . . 0.0 112.569 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m -53.79 -30.01 42.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.599 1.16 . . . . 0.0 113.655 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -72.05 -32.65 67.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.786 0.835 . . . . 0.0 112.646 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.76 -33.26 40.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.071 0.948 . . . . 0.0 111.082 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.18 -42.75 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.069 0.948 . . . . 0.0 110.507 169.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -59.97 -44.23 94.59 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.202 1.001 . . . . 0.0 111.828 172.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.14 93.44 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.702 -0.624 . . . . 0.0 112.017 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -46.23 82.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.044 -0.41 . . . . 0.0 111.392 175.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.75 -39.05 83.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.06 0.544 . . . . 0.0 112.287 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 tp -69.46 -29.94 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -85.38 -42.62 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.45 1.1 . . . . 0.0 112.666 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -84.48 -36.91 21.94 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 -138.98 46.79 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.97 0.795 . . . . 0.0 112.91 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.75 -2.3 19.85 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.5 -23.25 64.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.33 1.052 . . . . 0.0 113.614 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.77 144.81 1.77 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.555 1.55 . . . . 0.0 113.798 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.23 160.89 38.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -171.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -123.22 74.07 1.21 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.541 1.936 . . . . 0.0 111.633 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -61.26 148.62 40.45 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.663 1.185 . . . . 0.0 112.386 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -137.91 137.45 38.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.806 1.242 . . . . 0.0 113.6 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -149.2 142.34 15.91 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 126.478 1.911 . . . . 0.0 110.049 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -58.87 154.27 45.27 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.371 2.714 . . . . 0.0 114.079 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.152 1.781 . . . . 0.0 113.278 -178.395 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -88.36 -42.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.01 -31.93 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 121.17 -0.956 . . . . 0.0 112.465 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.81 -9.85 23.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 114.045 171.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -104.4 -54.39 2.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.241 1.416 . . . . 0.0 111.164 171.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.9 -9.52 58.66 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -169.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -101.59 -42.82 6.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.174 0.99 . . . . 0.0 111.144 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.48 -34.57 77.42 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 121.199 -0.938 . . . . 0.0 112.286 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -135.38 -158.33 0.87 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.172 2.189 . . . . 0.0 109.864 173.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.42 147.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.861 1.265 . . . . 0.0 111.509 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -122.8 146.43 47.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.375 1.47 . . . . 0.0 112.923 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -89.66 153.86 20.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.257 1.823 . . . . 0.0 111.325 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.16 -28.8 63.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.17 -27.85 66.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.292 0.637 . . . . 0.0 112.675 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.9 -25.47 43.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.905 1.282 . . . . 0.0 111.873 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.57 -38.77 54.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.456 0.703 . . . . 0.0 111.812 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -59.1 -22.97 61.67 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -60.8 -17.34 48.89 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.832 0.853 . . . . 0.0 113.111 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -101.55 5.16 41.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.689 1.196 . . . . 0.0 113.341 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.98 156.61 19.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.586 1.554 . . . . 0.0 112.463 169.858 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.864 -0.112 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -119.72 140.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.078 1.351 . . . . 0.0 111.754 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -146.31 44.32 1.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.442 1.097 . . . . 0.0 113.379 -168.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -129.42 71.78 1.45 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.161 0.984 . . . . 0.0 112.716 -170.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 48.76 53.91 11.58 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.261 1.424 . . . . 0.0 113.446 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.07 121.76 15.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.281 1.032 . . . . 0.0 110.656 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 141.47 45.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.89 1.276 . . . . 0.0 111.347 -172.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.26 -124.36 32.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.699 0.666 . . . . 0.0 112.725 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -29.17 57.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.237 1.015 . . . . 0.0 113.704 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -75.79 -30.21 58.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.202 0.91 . . . . 0.0 112.335 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.53 -47.15 61.78 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.593 0.757 . . . . 0.0 109.488 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.59 -42.34 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.31 1.044 . . . . 0.0 111.044 173.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.15 -41.01 97.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.353 1.061 . . . . 0.0 112.484 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.67 77.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.486 1.039 . . . . 0.0 112.319 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -45.12 93.9 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.346 -0.846 . . . . 0.0 111.402 175.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -64.94 -35.8 82.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.145 0.978 . . . . 0.0 112.545 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -66.16 -31.99 73.17 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.237 -0.914 . . . . 0.0 111.767 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.58 -43.57 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.564 1.146 . . . . 0.0 112.68 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.27 -14.6 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 -119.2 17.05 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.578 1.081 . . . . 0.0 113.438 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.34 -12.04 60.42 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -72.6 129.66 38.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.865 0.866 . . . . 0.0 109.992 172.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.16 151.84 49.6 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.362 0.506 . . . . 0.0 111.975 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -138.74 152.5 48.02 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.097 0.959 . . . . 0.0 113.353 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -107.49 59.31 0.62 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.568 1.947 . . . . 0.0 112.522 -169.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.73 127.95 34.16 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.673 1.189 . . . . 0.0 112.231 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.5 p -86.64 78.07 9.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.024 1.33 . . . . 0.0 110.687 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -63.88 160.56 45.24 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.46 153.5 54.0 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.649 2.899 . . . . 0.0 113.404 169.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.099 1.759 . . . . 0.0 112.504 -179.397 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -84.18 -36.96 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -171.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.69 -36.16 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.053 -1.029 . . . . 0.0 111.974 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 7.6 2.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.295 1.438 . . . . 0.0 114.138 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -127.67 -15.02 5.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.083 1.753 . . . . 0.0 113.987 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -118.57 -22.37 7.55 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.18 -34.37 9.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.466 1.106 . . . . 0.0 112.432 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 -34.68 67.89 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.959 1.303 . . . . 0.0 112.385 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -149.48 160.07 43.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.785 2.434 . . . . 0.0 109.441 171.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 mt -74.38 138.8 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.497 -0.752 . . . . 0.0 111.331 -172.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.17 163.07 17.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.448 . . . . 0.0 113.735 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 t -105.22 156.59 17.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.137 1.775 . . . . 0.0 112.371 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -55.95 -28.64 57.88 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.395 1.478 . . . . 0.0 114.228 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -65.67 -27.25 68.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.485 0.714 . . . . 0.0 112.446 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -81.33 -19.99 41.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.475 . . . . 0.0 112.13 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.5 -34.61 27.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.917 0.887 . . . . 0.0 111.809 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.53 -22.97 57.12 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -59.83 -26.53 65.87 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.521 1.128 . . . . 0.0 113.367 171.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -105.31 -9.49 17.6 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.399 1.48 . . . . 0.0 114.006 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -68.73 141.64 55.2 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.157 0.889 . . . . 0.0 111.844 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.431 1.492 . . . . 0.0 112.22 170.338 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.333 0.111 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 m -78.7 118.42 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.38 0.672 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.97 71.61 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.848 1.659 . . . . 0.0 109.781 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -134.91 66.29 1.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.802 1.641 . . . . 0.0 111.496 -173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 p80 43.05 55.86 4.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.283 1.833 . . . . 0.0 113.87 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.88 124.89 21.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.336 1.454 . . . . 0.0 111.283 -169.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.47 142.42 31.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.734 1.214 . . . . 0.0 110.838 -176.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -123.91 32.14 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.79 0.709 . . . . 0.0 112.701 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.5 p -51.15 -36.06 38.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.925 1.29 . . . . 0.0 113.769 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -73.42 -29.19 62.42 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.739 0.816 . . . . 0.0 112.854 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.99 -47.84 49.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.581 0.752 . . . . 0.0 109.781 173.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.39 -40.84 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.052 0.941 . . . . 0.0 111.24 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.52 -41.53 96.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.139 0.976 . . . . 0.0 112.284 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.57 76.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.974 . . . . 0.0 112.305 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.69 -43.01 94.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.593 -0.692 . . . . 0.0 110.928 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -61.27 -37.34 82.77 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.39 0.995 . . . . 0.0 112.678 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.13 -32.85 74.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.926 0.89 . . . . 0.0 112.01 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.64 -43.95 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.648 1.179 . . . . 0.0 112.694 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 m -84.11 -18.07 38.08 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.37 -126.19 32.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.497 1.046 . . . . 0.0 112.779 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.25 -10.03 59.33 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -91.26 148.22 22.5 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.762 1.225 . . . . 0.0 111.612 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 177.16 33.68 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.226 0.917 . . . . 0.0 114.023 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -157.15 159.93 38.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.392 1.077 . . . . 0.0 113.149 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -89.4 142.92 27.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.74 0.816 . . . . 0.0 111.902 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -146.1 153.69 40.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.824 1.65 . . . . 0.0 110.554 172.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 t -141.18 142.38 34.02 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.695 1.198 . . . . 0.0 111.572 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -101.6 149.75 36.68 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 126.504 1.922 . . . . 0.0 111.689 -170.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -64.82 -30.03 58.69 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.5 2.133 . . . . 0.0 114.507 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.256 1.822 . . . . 0.0 113.172 178.908 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.1 tt -67.5 -35.92 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.273 1.029 . . . . 0.0 113.301 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.41 -34.43 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.343 1.057 . . . . 0.0 110.973 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -81.33 19.38 0.97 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.762 1.625 . . . . 0.0 113.107 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -128.45 -45.17 1.36 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.095 1.358 . . . . 0.0 113.415 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.51 -15.89 14.34 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -98.12 -27.45 14.19 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.864 0.756 . . . . 0.0 111.704 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p -88.39 -31.08 19.04 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.127 0.971 . . . . 0.0 113.266 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -142.06 -174.82 4.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.924 2.49 . . . . 0.0 110.304 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.4 mm -92.95 124.71 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.099 -1.001 . . . . 0.0 109.216 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -92.96 176.26 6.49 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -130.05 149.42 51.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.996 1.718 . . . . 0.0 110.25 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.89 -26.27 61.92 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.69 -27.04 65.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.706 0.802 . . . . 0.0 112.767 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.36 -33.48 42.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.404 1.082 . . . . 0.0 111.249 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.22 -32.38 70.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.403 0.681 . . . . 0.0 112.835 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.49 -15.4 49.84 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -57.52 -36.14 71.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.2 1.0 . . . . 0.0 112.095 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -96.39 -7.7 34.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.471 1.108 . . . . 0.0 113.663 -169.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -68.67 148.86 49.81 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.138 0.881 . . . . 0.0 112.919 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.252 1.421 . . . . 0.0 112.433 176.186 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.58 144.07 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.864 1.666 . . . . 0.0 110.705 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -145.96 13.76 1.31 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.949 1.7 . . . . 0.0 114.745 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -74.76 90.5 2.34 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.772 1.229 . . . . 0.0 112.093 -169.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.7 p80 47.43 47.69 16.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.624 1.97 . . . . 0.0 113.592 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.87 127.73 33.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 111.025 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -138.64 145.94 41.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.835 0.854 . . . . 0.0 110.567 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -127.74 43.06 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.771 0.7 . . . . 0.0 112.456 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -53.42 -30.59 41.04 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -71.3 -33.05 69.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.057 0.844 . . . . 0.0 112.945 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.69 -37.17 36.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.51 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.32 -39.99 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.217 1.007 . . . . 0.0 110.977 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.09 -37.21 86.61 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.79 1.236 . . . . 0.0 112.494 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.78 72.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.341 -0.849 . . . . 0.0 112.088 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.37 -38.51 81.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.64 -0.662 . . . . 0.0 111.691 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -63.95 -37.85 88.92 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.669 -0.645 . . . . 0.0 112.343 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.96 -35.67 81.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.327 -0.858 . . . . 0.0 112.354 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.93 -44.24 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.407 1.083 . . . . 0.0 112.612 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.1 m -89.37 -18.68 26.39 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -174.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.57 -154.25 45.76 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.64 1.114 . . . . 0.0 114.813 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.73 16.61 0.27 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.74 1.616 . . . . 0.0 114.434 -175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -101.77 -15.39 16.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.908 1.683 . . . . 0.0 112.96 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.5 -173.73 55.2 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.526 1.06 . . . . 0.0 115.029 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -154.44 165.43 36.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.736 1.614 . . . . 0.0 112.242 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.29 89.85 3.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.084 1.754 . . . . 0.0 109.544 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.72 134.51 56.41 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.541 -0.724 . . . . 0.0 111.164 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.26 32.1 p 49.77 35.13 8.51 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 160.92 81.17 Favored Pre-proline 0 N--CA 1.481 1.108 0 C-N-CA 123.7 0.8 . . . . 0.0 112.783 173.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.74 137.64 82.04 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.273 2.649 . . . . 0.0 113.342 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.94 1.696 . . . . 0.0 110.605 -179.571 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.52 -34.07 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.03 -34.75 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.273 -0.892 . . . . 0.0 111.874 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.69 -7.05 41.76 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.924 1.29 . . . . 0.0 113.214 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -125.73 -24.18 3.88 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.5 m -112.61 -14.19 13.21 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -112.72 -43.57 3.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.727 1.211 . . . . 0.0 111.774 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -75.23 -23.66 57.59 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.013 0.824 . . . . 0.0 111.622 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -137.3 174.64 10.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.914 2.085 . . . . 0.0 110.068 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -90.89 142.18 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.924 0.89 . . . . 0.0 109.952 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 p -135.18 161.21 36.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.264 1.026 . . . . 0.0 113.194 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -94.62 163.27 13.45 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.076 1.351 . . . . 0.0 113.725 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.9 -27.73 63.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.69 1.196 . . . . 0.0 113.802 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.15 -27.88 61.05 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.18 -0.95 . . . . 0.0 112.046 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -75.4 -25.13 57.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.465 1.106 . . . . 0.0 111.673 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.56 -35.44 60.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.039 0.836 . . . . 0.0 111.896 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.56 -21.29 65.47 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -58.76 -22.51 58.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.922 0.889 . . . . 0.0 112.595 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.95 0.8 24.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.003 1.721 . . . . 0.0 113.825 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.37 158.37 35.22 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.352 0.978 . . . . 0.0 112.242 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.401 2.28 . . . . 0.0 112.784 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.029 -0.034 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.95 139.56 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.349 1.46 . . . . 0.0 112.363 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -141.22 46.9 1.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.781 1.633 . . . . 0.0 111.666 -169.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -131.25 60.04 1.67 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.795 1.638 . . . . 0.0 112.099 -170.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.0 p80 46.65 52.39 11.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.698 1.999 . . . . 0.0 114.397 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.34 131.37 49.06 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.643 1.177 . . . . 0.0 109.396 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.59 146.48 41.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.255 1.022 . . . . 0.0 111.616 -173.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.51 -126.59 41.62 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.532 0.587 . . . . 0.0 112.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.26 -32.01 35.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.622 1.169 . . . . 0.0 113.729 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -73.49 -32.21 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.819 0.736 . . . . 0.0 112.778 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.28 -35.31 55.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.234 0.614 . . . . 0.0 110.953 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.98 -42.2 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.579 1.152 . . . . 0.0 110.865 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.6 -40.8 97.85 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.365 1.066 . . . . 0.0 112.28 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.83 84.07 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.39 85.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.582 0.753 . . . . 0.0 111.387 173.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.26 -38.53 89.65 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.434 0.694 . . . . 0.0 112.345 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.18 -33.06 74.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.348 1.059 . . . . 0.0 112.178 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -86.21 -46.1 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.541 1.136 . . . . 0.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -81.62 -35.38 30.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 -132.02 52.34 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.781 0.705 . . . . 0.0 112.491 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -5.79 25.57 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.67 -19.73 63.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.057 0.943 . . . . 0.0 113.341 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.89 175.53 15.51 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.359 0.981 . . . . 0.0 113.117 -171.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -161.1 170.07 21.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.239 1.016 . . . . 0.0 113.228 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.51 155.94 33.88 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.535 1.534 . . . . 0.0 110.955 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.26 152.51 38.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.437 1.095 . . . . 0.0 111.801 -173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -151.58 153.52 34.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.664 1.186 . . . . 0.0 112.022 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -136.28 50.0 3.71 Favored Pre-proline 0 N--CA 1.48 1.05 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -172.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.66 139.17 51.96 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.799 3.0 . . . . 0.0 112.958 -172.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.252 1.185 0 C-N-CA 125.753 1.621 . . . . 0.0 112.114 178.365 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -73.7 -39.01 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.4 -30.82 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.255 -0.903 . . . . 0.0 112.616 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.11 -15.39 63.05 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 113.035 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -102.87 -55.39 2.44 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.69 1.596 . . . . 0.0 111.573 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 m -80.56 -28.2 37.3 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -169.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -74.21 -37.61 63.82 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.44 0.563 . . . . 0.0 110.73 171.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -81.95 -42.49 19.36 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.164 1.386 . . . . 0.0 113.43 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -132.39 6.0 4.1 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt 66.97 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.338 1.855 . . . . 0.0 112.992 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -128.49 145.06 51.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.994 1.318 . . . . 0.0 113.068 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.9 p -86.23 155.79 20.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.173 1.789 . . . . 0.0 110.448 168.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.19 -29.32 65.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.084 -1.01 . . . . 0.0 113.365 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.72 -28.93 69.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.596 1.159 . . . . 0.0 113.749 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -94.97 -4.74 46.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -85.03 -33.87 22.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.446 0.699 . . . . 0.0 110.103 167.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -57.53 -22.14 42.51 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.455 1.102 . . . . 0.0 113.722 172.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -57.27 -27.78 62.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.016 1.326 . . . . 0.0 113.307 171.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -104.13 -10.68 17.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.427 1.491 . . . . 0.0 113.776 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.92 152.56 45.47 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.307 0.958 . . . . 0.0 112.32 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.945 1.698 . . . . 0.0 112.582 175.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.31 138.26 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.305 1.442 . . . . 0.0 112.306 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -142.96 62.28 1.4 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.751 1.221 . . . . 0.0 111.148 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -133.41 66.24 1.56 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.075 1.35 . . . . 0.0 112.412 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 48.79 56.88 7.01 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.299 1.44 . . . . 0.0 113.235 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.16 126.13 28.55 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.641 -0.662 . . . . 0.0 109.786 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -146.56 141.47 27.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.005 . . . . 0.0 111.022 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 -131.5 52.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 122.144 -0.348 . . . . 0.0 112.424 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -51.55 -29.61 17.63 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -73.81 -28.17 61.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.263 -0.898 . . . . 0.0 112.856 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -81.18 -34.4 32.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.299 1.04 . . . . 0.0 111.342 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.66 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.066 0.946 . . . . 0.0 109.855 169.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -40.08 92.31 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.886 1.274 . . . . 0.0 112.59 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.32 91.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.191 -0.943 . . . . 0.0 112.312 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.1 -45.31 89.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.958 0.503 . . . . 0.0 111.689 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -56.98 -41.01 77.61 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.084 0.953 . . . . 0.0 112.532 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 tp -66.07 -37.63 86.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.74 1.216 . . . . 0.0 112.313 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.52 -42.43 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -79.37 -16.42 56.29 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.58 51.02 60.41 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.378 0.99 . . . . 0.0 114.333 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 62.81 9.65 3.77 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.17 -16.39 61.43 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.764 -1.21 . . . . 0.0 113.454 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.17 160.27 36.33 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.596 1.569 . . . . 0.0 113.465 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.37 162.52 33.41 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.193 1.397 . . . . 0.0 112.576 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -91.36 140.84 29.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.24 1.016 . . . . 0.0 111.214 169.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -150.25 156.82 42.28 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.135 1.374 . . . . 0.0 110.581 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -143.99 154.9 43.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.343 1.057 . . . . 0.0 112.853 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt 54.06 71.76 1.28 Allowed Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 127.635 2.374 . . . . 0.0 114.296 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.8 153.49 58.89 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.734 2.956 . . . . 0.0 112.839 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.254 1.295 0 C-N-CA 126.312 1.845 . . . . 0.0 113.113 177.153 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tt -67.99 -36.46 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.847 1.259 . . . . 0.0 113.613 -170.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.14 -35.99 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.287 0.635 . . . . 0.0 111.54 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.17 -17.15 64.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.029 0.932 . . . . 0.0 112.529 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -94.06 -60.63 1.7 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.949 1.3 . . . . 0.0 111.022 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.69 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -171.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -82.17 -33.63 29.41 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.795 0.725 . . . . 0.0 112.139 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.8 m -103.64 -38.59 7.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -127.15 5.07 6.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -168.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 mm 66.41 150.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.361 1.865 . . . . 0.0 112.493 -170.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -138.2 -165.15 1.75 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.622 1.569 . . . . 0.0 111.765 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -145.66 154.68 42.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.186 1.394 . . . . 0.0 111.063 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -60.34 -27.58 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -69.07 -26.17 64.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.954 0.902 . . . . 0.0 112.614 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -81.55 -37.45 27.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.42 1.088 . . . . 0.0 111.17 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.88 -35.68 77.27 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.106 0.866 . . . . 0.0 111.603 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.48 -23.3 64.38 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -65.4 -16.55 63.73 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.234 0.925 . . . . 0.0 112.693 174.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -107.26 -0.23 22.72 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.058 1.743 . . . . 0.0 113.471 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.9 m -69.72 151.82 45.38 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.283 -0.886 . . . . 0.0 111.884 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.4 t30 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.845 1.658 . . . . 0.0 112.511 175.453 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.78 133.44 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.262 1.025 . . . . 0.0 111.623 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -135.46 16.59 3.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.923 1.289 . . . . 0.0 113.264 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.67 89.25 1.32 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.897 1.679 . . . . 0.0 112.917 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 52.38 54.05 11.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.441 1.496 . . . . 0.0 112.262 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.5 mt -77.65 123.55 26.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.433 0.693 . . . . 0.0 110.41 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 m -135.85 139.89 43.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.335 1.054 . . . . 0.0 110.494 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.29 -122.41 21.19 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.402 0.525 . . . . 0.0 112.497 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.62 -32.78 52.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.834 1.254 . . . . 0.0 113.938 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -74.18 -33.27 63.41 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 112.941 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.1 -47.74 56.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.218 0.607 . . . . 0.0 109.503 172.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.49 -38.57 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.899 1.28 . . . . 0.0 111.9 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -41.68 94.33 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.733 1.213 . . . . 0.0 112.397 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.52 71.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.619 -0.676 . . . . 0.0 112.554 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -45.66 93.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.504 0.722 . . . . 0.0 110.818 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -62.14 -39.52 92.87 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.38 0.672 . . . . 0.0 112.278 173.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.0 tp -67.75 -30.54 70.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.393 0.677 . . . . 0.0 112.239 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.0 -50.02 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.431 1.092 . . . . 0.0 112.159 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.33 -30.13 33.96 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.0 -146.8 48.64 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.267 0.937 . . . . 0.0 113.143 -173.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.02 -2.89 8.52 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.79 -31.52 72.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.401 1.48 . . . . 0.0 113.129 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.77 168.01 44.19 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.947 1.261 . . . . 0.0 113.52 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -159.74 174.12 15.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.773 1.629 . . . . 0.0 112.126 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.13 158.86 34.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.999 1.32 . . . . 0.0 111.724 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -136.54 129.22 30.59 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.945 1.298 . . . . 0.0 111.41 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 p -88.19 78.42 8.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.606 1.162 . . . . 0.0 110.271 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.51 147.7 76.25 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.449 1.1 . . . . 0.0 113.04 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.08 -16.25 17.99 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.382 2.721 . . . . 0.0 114.679 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.822 1.649 . . . . 0.0 112.074 -179.269 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -66.28 -35.61 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.483 -1.01 . . . . 0.0 113.58 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.82 -30.54 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.299 1.04 . . . . 0.0 112.034 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -69.98 -10.61 59.2 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.872 1.269 . . . . 0.0 112.818 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -113.66 -58.28 2.17 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.014 1.326 . . . . 0.0 112.31 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.69 -21.26 21.72 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -170.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -101.9 -41.34 6.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.355 1.062 . . . . 0.0 111.337 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -80.12 -26.89 39.25 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.748 0.819 . . . . 0.0 111.96 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -135.65 -163.25 1.36 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.589 1.956 . . . . 0.0 109.331 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mm -81.87 137.21 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.797 0.839 . . . . 0.0 111.618 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -77.49 155.63 31.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.858 1.263 . . . . 0.0 114.139 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -140.91 131.17 24.96 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.726 1.21 . . . . 0.0 110.665 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.93 -27.61 68.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.342 1.057 . . . . 0.0 113.159 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -67.34 -25.89 66.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.598 0.759 . . . . 0.0 112.422 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -79.67 -39.6 30.99 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.645 0.778 . . . . 0.0 110.75 169.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.13 -20.82 60.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 172.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -71.61 -28.47 63.81 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.085 -1.01 . . . . 0.0 112.877 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.71 -13.63 31.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.103 1.361 . . . . 0.0 112.072 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.3 152.64 32.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.361 1.864 . . . . 0.0 112.908 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.529 1.531 . . . . 0.0 111.371 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.878 -0.106 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.64 141.01 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.373 1.469 . . . . 0.0 112.324 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -149.59 51.66 0.94 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.847 1.259 . . . . 0.0 112.331 -169.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -135.73 56.74 1.82 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.01 1.324 . . . . 0.0 112.484 -170.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 50.11 65.94 1.29 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.418 1.487 . . . . 0.0 112.9 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.52 123.88 27.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.525 0.73 . . . . 0.0 109.722 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -134.93 147.57 49.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.149 1.38 . . . . 0.0 110.803 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.24 -126.63 42.95 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.984 0.802 . . . . 0.0 112.615 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -54.06 -32.36 54.38 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.667 1.187 . . . . 0.0 113.256 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -71.31 -27.47 63.42 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.906 0.882 . . . . 0.0 112.742 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.95 -37.98 28.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.537 0.735 . . . . 0.0 111.557 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.8 -31.55 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.437 -0.79 . . . . 0.0 112.249 169.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.73 -37.13 85.35 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.557 -0.714 . . . . 0.0 111.297 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.98 70.16 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 111.701 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.74 -42.94 98.38 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.095 0.558 . . . . 0.0 111.179 172.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.48 -36.84 85.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.53 -30.59 71.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.874 0.87 . . . . 0.0 112.162 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.88 -42.01 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.0 1.32 . . . . 0.0 112.496 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -90.8 -29.81 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 -140.87 47.95 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.044 0.831 . . . . 0.0 113.533 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.75 -3.9 31.29 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -61.64 -33.24 73.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.504 1.121 . . . . 0.0 113.708 174.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 155.03 5.07 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.615 1.102 . . . . 0.0 113.255 -170.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -139.26 163.47 32.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.502 1.521 . . . . 0.0 112.211 -171.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -123.49 100.39 6.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.416 1.486 . . . . 0.0 109.138 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -67.5 155.22 39.59 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.451 0.643 . . . . 0.0 111.572 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.336 21.5 p 52.66 40.4 30.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -56.72 154.19 18.95 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.158 1.783 . . . . 0.0 109.663 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -59.89 -13.23 21.69 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.126 2.551 . . . . 0.0 116.676 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.25 1.109 0 C-N-CA 126.231 1.812 . . . . 0.0 112.7 174.533 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -72.58 -40.95 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.18 -29.2 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.237 -0.915 . . . . 0.0 112.068 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.07 -6.18 31.93 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.399 1.479 . . . . 0.0 113.378 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -108.85 -53.04 2.69 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.438 1.495 . . . . 0.0 110.243 169.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.43 -32.01 64.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -76.23 -39.27 54.98 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.66 0.664 . . . . 0.0 111.949 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 p -100.86 -32.2 10.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.998 1.319 . . . . 0.0 114.464 -170.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -131.62 7.25 4.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.09 1.356 . . . . 0.0 114.622 -169.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.13 151.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 127.616 2.366 . . . . 0.0 113.984 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.7 m -128.05 140.79 51.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.873 1.669 . . . . 0.0 112.299 171.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.9 p -91.95 162.87 14.22 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.835 1.254 . . . . 0.0 108.639 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.84 -25.88 63.66 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.84 -29.1 67.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.945 0.898 . . . . 0.0 112.445 174.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -75.95 -36.91 59.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.697 0.799 . . . . 0.0 111.396 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.46 -36.5 79.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.394 0.543 . . . . 0.0 112.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.34 -20.82 31.31 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -67.82 -18.15 64.75 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -112.94 -4.29 13.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.153 1.381 . . . . 0.0 113.799 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.5 m -68.41 149.09 49.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.14 0.882 . . . . 0.0 112.551 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 172.184 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.283 0.087 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.7 125.65 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.617 1.567 . . . . 0.0 111.671 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.42 71.59 1.46 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.004 1.722 . . . . 0.0 109.29 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.16 72.59 1.37 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.463 1.505 . . . . 0.0 113.26 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 51.18 53.82 12.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.199 1.399 . . . . 0.0 113.537 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.52 118.11 11.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.959 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -143.95 145.61 32.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.516 1.126 . . . . 0.0 111.124 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.73 -132.75 52.71 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 123.464 0.554 . . . . 0.0 111.932 -172.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -57.36 -25.17 59.02 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -70.26 -30.29 67.3 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.389 -0.82 . . . . 0.0 112.711 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.58 -43.07 66.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.139 0.576 . . . . 0.0 110.08 174.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.88 -43.26 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.527 1.131 . . . . 0.0 110.817 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.05 -43.61 98.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.019 1.328 . . . . 0.0 112.321 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.42 82.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.359 -0.838 . . . . 0.0 112.236 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.91 -45.15 90.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.428 0.558 . . . . 0.0 111.06 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -59.69 -38.85 82.69 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.034 0.834 . . . . 0.0 112.657 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.72 -38.05 88.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.817 1.247 . . . . 0.0 112.123 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.92 -42.57 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.107 0.963 . . . . 0.0 112.639 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.18 -13.05 60.01 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.2 52.74 45.03 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.292 0.949 . . . . 0.0 112.64 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.321 8.3 pt-20 55.54 12.69 0.82 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.647 2.379 . . . . 0.0 117.062 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -69.09 -18.07 63.94 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.751 1.22 . . . . 0.0 113.879 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.68 168.9 43.56 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.662 1.125 . . . . 0.0 113.101 -170.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -158.48 154.82 27.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.963 1.305 . . . . 0.0 111.721 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -77.77 -50.63 11.98 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 112.859 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.265 7.4 p90 45.05 -176.16 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.675 2.79 . . . . 0.0 115.859 -175.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.6 p -138.02 140.34 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.386 -1.446 . . . . 0.0 111.241 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.33 131.93 90.0 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.684 1.194 . . . . 0.0 111.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.87 137.55 77.07 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.866 2.377 . . . . 0.0 111.839 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.615 1.566 . . . . 0.0 110.722 -178.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -59.4 -32.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.435 1.494 . . . . 0.0 114.144 -169.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -64.58 -30.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.293 -0.879 . . . . 0.0 112.069 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.11 6.99 6.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.407 1.483 . . . . 0.0 112.623 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -130.67 -38.99 1.28 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 112.961 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.55 -11.4 17.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -171.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.27 -43.61 4.75 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.772 1.229 . . . . 0.0 111.67 171.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.6 p -67.19 -39.27 86.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.761 0.824 . . . . 0.0 111.684 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -122.44 -156.56 0.7 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.605 2.362 . . . . 0.0 107.63 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -129.23 136.78 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.392 1.077 . . . . 0.0 109.62 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.57 150.52 37.88 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.883 1.273 . . . . 0.0 112.703 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -78.24 156.43 29.74 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.559 1.144 . . . . 0.0 112.427 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.46 -27.97 58.36 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.52 -27.57 68.56 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.0 0.92 . . . . 0.0 113.093 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.94 -16.21 51.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.748 1.619 . . . . 0.0 112.08 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.21 -36.18 35.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.255 1.022 . . . . 0.0 111.673 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.04 -28.18 62.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.98 0.912 . . . . 0.0 113.041 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.05 -26.1 59.78 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.991 1.316 . . . . 0.0 113.66 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -104.27 0.06 28.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 0.0 113.269 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -91.0 151.5 21.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.42 1.488 . . . . 0.0 112.659 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.915 1.286 . . . . 0.0 113.537 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 t80 . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.045 0.926 . . . . 0.0 112.967 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.81 65.23 0.92 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.034 1.334 . . . . 0.0 110.157 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -133.81 45.08 2.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.154 1.381 . . . . 0.0 113.117 -169.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 54.12 82.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.556 1.542 . . . . 0.0 111.471 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.03 110.22 14.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.0 0.92 . . . . 0.0 108.878 -173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.83 139.11 52.32 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.17 -120.68 19.01 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.098 0.856 . . . . 0.0 112.654 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -51.28 -36.99 44.91 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.938 1.295 . . . . 0.0 113.726 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -72.12 -35.69 69.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.072 0.851 . . . . 0.0 112.82 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.6 -46.72 71.79 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.798 0.839 . . . . 0.0 109.944 174.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.56 -42.35 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.777 1.231 . . . . 0.0 111.566 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.67 -41.65 97.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.638 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.26 84.87 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.68 -0.637 . . . . 0.0 112.666 175.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.8 96.07 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.898 -0.501 . . . . 0.0 110.635 175.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.44 -37.55 87.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.46 -29.58 69.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.993 0.917 . . . . 0.0 112.365 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -86.42 -42.54 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.988 1.315 . . . . 0.0 112.268 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.3 t -88.18 -32.29 18.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -155.31 53.41 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.32 0.962 . . . . 0.0 112.936 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.32 5.32 5.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -66.56 -25.63 66.73 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.953 1.301 . . . . 0.0 113.749 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.89 152.14 13.57 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.863 1.22 . . . . 0.0 113.754 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -150.69 168.93 22.87 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 112.932 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -102.59 152.91 20.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.689 1.596 . . . . 0.0 111.808 171.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -154.12 167.41 29.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.75 1.22 . . . . 0.0 110.778 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -129.22 155.85 44.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.538 1.135 . . . . 0.0 111.744 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -148.84 154.0 39.59 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.632 1.573 . . . . 0.0 112.18 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.38 -14.03 20.45 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 123.357 2.705 . . . . 0.0 114.015 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 126.896 2.079 . . . . 0.0 113.202 -175.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt -85.28 -31.56 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.57 -33.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.303 -0.873 . . . . 0.0 111.319 -173.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.26 -7.08 21.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.512 1.125 . . . . 0.0 114.014 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -121.41 -29.25 4.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.204 1.402 . . . . 0.0 113.6 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.0 m -106.8 -20.2 13.41 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -103.04 -43.89 5.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 111.602 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -77.26 -27.2 53.11 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.415 -0.803 . . . . 0.0 112.098 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -134.95 179.84 6.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.969 2.108 . . . . 0.0 110.284 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.98 141.74 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.311 1.044 . . . . 0.0 110.25 172.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -134.5 164.41 27.53 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.533 1.133 . . . . 0.0 113.694 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -105.26 154.98 19.51 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.653 1.981 . . . . 0.0 112.897 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.45 -27.03 55.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.64 -28.84 65.12 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.62 -0.675 . . . . 0.0 112.367 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -75.15 -24.61 57.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.784 1.234 . . . . 0.0 111.456 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.44 -35.37 46.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.326 0.65 . . . . 0.0 111.89 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.62 -20.21 65.49 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.1 -12.59 40.69 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.657 0.783 . . . . 0.0 112.946 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -112.32 2.41 16.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.171 1.788 . . . . 0.0 113.797 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -75.17 160.65 30.18 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.572 1.078 . . . . 0.0 111.477 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.385 0 C-N-CA 126.097 1.759 . . . . 0.0 111.011 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.0 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -121.2 140.22 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.072 1.349 . . . . 0.0 112.35 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -145.36 39.38 1.18 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.079 1.351 . . . . 0.0 112.231 -169.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -119.41 63.18 0.8 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.282 1.433 . . . . 0.0 111.434 -170.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 43.71 61.2 2.36 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.598 1.959 . . . . 0.0 113.544 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.05 123.99 22.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.79 1.236 . . . . 0.0 110.968 -174.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -130.39 143.13 50.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.434 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.44 -123.35 32.4 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.863 0.745 . . . . 0.0 112.766 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -53.02 -34.24 55.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.916 1.286 . . . . 0.0 113.071 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -73.86 -29.8 62.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 112.497 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.24 -49.92 38.29 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.222 0.609 . . . . 0.0 109.74 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -66.65 -29.25 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.64 -41.63 95.29 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.418 0.687 . . . . 0.0 111.093 169.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.25 66.67 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.568 -0.707 . . . . 0.0 111.977 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -45.2 92.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.548 0.739 . . . . 0.0 110.942 175.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.3 -37.3 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.372 1.069 . . . . 0.0 112.781 173.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.73 -31.38 72.53 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.687 0.795 . . . . 0.0 112.099 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.59 -45.51 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 112.32 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -81.25 -30.11 34.22 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.221 -0.924 . . . . 0.0 113.429 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.79 -120.98 25.12 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 119.178 0.899 . . . . 0.0 111.718 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.73 -3.2 40.01 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -77.21 40.51 0.27 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.634 1.574 . . . . 0.0 114.571 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.76 -68.38 0.04 OUTLIER Glycine 0 CA--C 1.541 1.705 0 C-N-CA 127.984 2.707 . . . . 0.0 116.783 169.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . 0.317 1.9 p90 60.89 159.77 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 131.154 3.782 . . . . 0.0 118.546 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -127.69 148.77 50.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.303 1.841 . . . . 0.0 112.071 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -140.2 164.67 29.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.197 1.799 . . . . 0.0 111.147 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -73.08 -16.1 61.48 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -91.96 124.37 60.33 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.025 1.33 . . . . 0.0 110.568 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.54 126.78 19.11 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.612 2.208 . . . . 0.0 111.199 169.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.229 1.412 . . . . 0.0 111.138 -175.584 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tt -84.25 -28.99 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.8 140.92 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.865 0.866 . . . . 0.0 109.453 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 55.23 32.31 18.29 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -132.19 -52.67 0.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.993 1.317 . . . . 0.0 111.835 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.7 m -96.82 -4.36 40.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.332 1.053 . . . . 0.0 113.755 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.04 -50.4 4.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.819 1.647 . . . . 0.0 111.715 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 p -80.91 -21.88 40.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.099 1.36 . . . . 0.0 113.441 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -140.9 -174.26 3.94 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.918 2.087 . . . . 0.0 110.279 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.16 142.79 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.882 1.273 . . . . 0.0 111.742 -177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.82 -174.12 2.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.298 1.839 . . . . 0.0 112.845 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -138.12 153.02 49.28 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.915 1.686 . . . . 0.0 108.933 169.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -22.38 61.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.22 -28.17 67.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.142 0.977 . . . . 0.0 113.472 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -92.89 -2.91 55.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -84.74 -41.57 16.07 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 167.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.98 -26.48 48.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.445 171.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -53.66 -29.65 39.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.913 1.285 . . . . 0.0 113.245 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -102.15 -1.05 32.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.159 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -79.17 147.07 32.79 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.163 -0.961 . . . . 0.0 112.855 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.07 1.348 . . . . 0.0 112.083 172.303 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -64.53 112.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 122.078 0.942 . . . . 0.0 113.305 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.74 12.96 2.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.965 1.706 . . . . 0.0 113.257 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -77.12 77.76 3.65 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.685 1.994 . . . . 0.0 113.361 -170.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 53.26 46.53 26.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.032 1.333 . . . . 0.0 113.55 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.04 131.51 40.64 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.275 -0.891 . . . . 0.0 109.769 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.35 147.13 51.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.187 1.395 . . . . 0.0 111.052 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.38 -126.66 42.79 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 123.776 0.703 . . . . 0.0 112.628 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -53.53 -28.65 32.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.534 1.134 . . . . 0.0 113.87 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -75.84 -31.54 59.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.844 0.747 . . . . 0.0 112.432 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.74 -36.93 56.79 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.808 0.843 . . . . 0.0 110.466 176.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.18 -42.15 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.622 1.169 . . . . 0.0 110.257 168.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.76 -38.06 89.71 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.749 1.22 . . . . 0.0 113.043 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.46 87.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.561 1.073 . . . . 0.0 111.362 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.64 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.075 -0.391 . . . . 0.0 111.181 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -62.45 -38.85 91.39 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.097 0.959 . . . . 0.0 112.358 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 tp -67.44 -29.28 68.71 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.559 -0.713 . . . . 0.0 112.242 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.25 -45.3 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.471 1.108 . . . . 0.0 112.642 174.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 t -94.76 -23.65 17.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -168.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.8 -152.66 51.66 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 121.328 -0.858 . . . . 0.0 113.192 -171.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.17 1.05 19.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.86 1.429 . . . . 0.0 114.86 -171.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -74.55 -11.19 60.15 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.98 161.9 24.49 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.99 1.281 . . . . 0.0 113.649 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.83 156.6 36.5 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.149 0.98 . . . . 0.0 113.075 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -90.13 41.27 1.04 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 113.617 -169.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.73 151.49 25.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 171.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -138.14 151.25 47.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.095 0.958 . . . . 0.0 112.939 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -79.62 161.43 66.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 126.036 1.734 . . . . 0.0 112.737 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.1 -30.02 90.48 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 115.03 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.559 1.944 . . . . 0.0 112.837 178.386 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.33 -40.47 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -171.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.19 -33.0 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.325 -0.86 . . . . 0.0 111.656 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.8 -12.93 58.08 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.305 1.442 . . . . 0.0 112.946 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -109.68 -40.62 4.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.633 1.173 . . . . 0.0 113.438 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -95.87 -17.95 20.72 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -115.77 -41.7 3.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.302 1.041 . . . . 0.0 112.648 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -74.22 -24.97 59.41 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.408 -0.808 . . . . 0.0 111.452 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -134.14 -163.08 1.32 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.405 2.282 . . . . 0.0 108.617 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mt -115.11 137.6 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.888 1.275 . . . . 0.0 109.519 171.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -120.86 159.61 25.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.797 1.239 . . . . 0.0 113.543 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -94.81 155.19 16.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.863 1.665 . . . . 0.0 112.15 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.74 -28.92 37.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.197 1.399 . . . . 0.0 114.44 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -63.64 -28.73 70.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 112.814 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -78.97 -23.92 44.21 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.6 1.56 . . . . 0.0 111.724 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.81 -38.27 46.79 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.469 1.108 . . . . 0.0 111.881 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.29 -25.71 59.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.71 -20.26 63.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.515 1.126 . . . . 0.0 113.697 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.26 2.5 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.509 1.524 . . . . 0.0 113.095 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.55 140.03 30.13 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.762 1.625 . . . . 0.0 112.676 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 128.72 2.808 . . . . 0.0 115.226 171.612 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.74 139.43 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.744 1.618 . . . . 0.0 111.702 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -142.66 56.87 1.43 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.089 1.756 . . . . 0.0 111.276 -169.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -133.58 59.55 1.73 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.552 1.541 . . . . 0.0 113.04 -169.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 48.64 56.53 7.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.396 1.478 . . . . 0.0 113.549 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.83 121.21 14.97 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.095 -1.003 . . . . 0.0 109.665 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.59 144.56 37.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.897 1.279 . . . . 0.0 111.34 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.63 39.81 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.346 0.498 . . . . 0.0 112.591 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 p -51.69 -33.11 32.61 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.959 1.303 . . . . 0.0 113.9 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -75.1 -28.17 60.14 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.572 -0.705 . . . . 0.0 112.509 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.55 -34.61 46.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.389 0.676 . . . . 0.0 110.938 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.61 -43.94 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.178 0.991 . . . . 0.0 110.276 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.69 -40.94 98.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.197 0.999 . . . . 0.0 111.861 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.83 -37.4 81.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.992 0.815 . . . . 0.0 112.803 175.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -41.46 95.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.37 -0.831 . . . . 0.0 111.235 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.92 -36.57 84.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.07 -33.17 73.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.024 0.93 . . . . 0.0 112.2 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -90.4 -41.2 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.981 1.312 . . . . 0.0 113.085 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -98.55 -23.38 15.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.082 1.353 . . . . 0.0 114.622 -170.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.38 -142.24 47.88 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.317 -0.864 . . . . 0.0 113.183 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.04 0.5 15.79 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.58 -4.06 46.91 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -172.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 146.47 2.84 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.509 1.528 . . . . 0.0 113.883 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -147.01 159.01 44.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.986 0.915 . . . . 0.0 112.972 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -127.03 48.7 2.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.774 1.63 . . . . 0.0 111.771 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.32 145.07 52.71 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.122 0.969 . . . . 0.0 111.69 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -95.0 106.2 18.17 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.271 -0.893 . . . . 0.0 111.417 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -70.42 156.47 91.85 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.441 1.096 . . . . 0.0 112.032 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.14 -22.01 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.575 2.183 . . . . 0.0 113.905 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.851 1.661 . . . . 0.0 111.889 179.397 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.16 -27.62 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.06 -35.92 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.919 -1.113 . . . . 0.0 111.667 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.89 15.02 1.54 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.929 1.292 . . . . 0.0 112.972 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -133.47 -31.4 1.22 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.656 1.582 . . . . 0.0 113.122 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -113.07 -18.85 12.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.692 1.597 . . . . 0.0 114.809 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.0 t -100.08 -30.63 11.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.528 1.058 . . . . 0.0 112.334 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -79.16 -31.58 44.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.769 1.228 . . . . 0.0 112.886 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -150.98 173.77 13.91 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.294 2.238 . . . . 0.0 109.712 172.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -76.6 142.12 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.442 -0.786 . . . . 0.0 111.023 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -126.76 162.78 25.03 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.51 1.524 . . . . 0.0 112.568 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.1 p -107.6 155.78 19.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.369 1.867 . . . . 0.0 112.226 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.5 -29.82 38.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.122 1.369 . . . . 0.0 114.223 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -64.96 -25.6 67.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.141 0.976 . . . . 0.0 112.926 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -78.27 -19.12 54.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.141 1.376 . . . . 0.0 112.182 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.98 -27.68 28.27 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.965 0.906 . . . . 0.0 111.902 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.75 -26.45 67.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.537 0.735 . . . . 0.0 112.591 174.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.24 -24.12 66.13 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.083 1.353 . . . . 0.0 113.4 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -103.97 -3.47 24.63 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.955 1.702 . . . . 0.0 113.305 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.39 150.4 25.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.622 1.569 . . . . 0.0 111.833 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.571 1.148 . . . . 0.0 112.774 173.01 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.849 -0.056 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.74 131.61 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.19 1.396 . . . . 0.0 112.511 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.4 49.63 1.99 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.215 1.406 . . . . 0.0 110.529 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -133.64 71.71 1.47 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.032 1.333 . . . . 0.0 113.416 -169.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 43.66 52.61 6.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.631 1.972 . . . . 0.0 113.799 170.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.47 131.94 51.8 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.183 1.393 . . . . 0.0 111.175 -172.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 141.59 27.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.238 0.615 . . . . 0.0 111.202 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.21 -125.13 35.11 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 123.817 0.723 . . . . 0.0 112.132 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -51.79 -35.8 45.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.878 1.271 . . . . 0.0 114.024 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -70.43 -30.74 67.67 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.5 tp -82.99 -42.78 17.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.462 0.705 . . . . 0.0 110.572 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.03 -40.38 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.336 1.054 . . . . 0.0 111.54 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -37.36 81.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.847 1.259 . . . . 0.0 112.536 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.29 -39.28 65.46 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.394 -0.816 . . . . 0.0 112.81 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.9 -42.01 98.58 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.67 -0.644 . . . . 0.0 110.886 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.98 -39.36 94.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -33.9 77.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.481 0.712 . . . . 0.0 112.465 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -85.74 -43.34 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.621 1.168 . . . . 0.0 112.585 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -91.58 -27.2 18.32 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.94 -139.49 48.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.413 1.006 . . . . 0.0 113.646 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.38 -3.29 26.38 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -67.69 -28.71 67.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.111 0.964 . . . . 0.0 113.167 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.94 6.24 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.087 1.327 . . . . 0.0 113.565 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -140.26 165.4 27.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.164 1.386 . . . . 0.0 112.55 -172.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -128.56 112.74 14.63 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.101 1.36 . . . . 0.0 110.422 -173.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -79.07 -21.0 47.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.187 0.995 . . . . 0.0 113.601 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p 60.29 179.45 0.1 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.201 2.2 . . . . 0.0 114.592 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -137.48 123.42 13.05 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.406 1.483 . . . . 0.0 109.963 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.97 -24.07 4.21 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.761 2.307 . . . . 0.0 114.004 -174.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 C--O 1.251 1.144 0 C-N-CA 126.304 1.842 . . . . 0.0 110.673 -175.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 CA-C-O 121.218 0.343 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.51 -38.85 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.389 1.075 . . . . 0.0 113.29 -173.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.72 -31.63 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.322 -0.861 . . . . 0.0 112.005 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.36 -7.62 32.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.296 1.438 . . . . 0.0 113.078 173.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.83 -57.97 1.97 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.845 1.658 . . . . 0.0 110.388 170.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.67 55.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.3 -40.49 7.9 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.743 0.817 . . . . 0.0 111.95 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -68.01 -29.52 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.139 0.976 . . . . 0.0 112.266 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -133.52 -126.63 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.175 1.39 . . . . 0.0 109.743 169.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mt -139.92 142.72 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.133 1.773 . . . . 0.0 107.888 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.06 152.87 52.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.699 0.8 . . . . 0.0 112.803 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.7 p -100.21 169.03 9.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.153 1.781 . . . . 0.0 113.161 -174.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.84 -27.89 32.46 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -72.18 -28.24 63.09 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.817 0.847 . . . . 0.0 112.277 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -81.49 -25.31 36.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.59 1.156 . . . . 0.0 111.916 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -74.4 -39.97 62.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.874 0.761 . . . . 0.0 112.147 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.26 -18.22 60.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.03 -20.2 50.92 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.681 0.792 . . . . 0.0 112.708 170.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -106.8 13.36 27.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.611 1.164 . . . . 0.0 113.513 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.54 163.96 18.0 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 C-N-CA 124.935 1.294 . . . . 0.0 111.29 169.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.3 m -68.04 122.74 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.1 0.96 . . . . 0.0 113.295 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -137.25 66.4 1.46 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.12 1.768 . . . . 0.0 109.226 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -139.0 60.55 1.59 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.651 1.181 . . . . 0.0 113.017 -169.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 48.81 49.36 19.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.21 1.404 . . . . 0.0 113.823 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.8 122.54 15.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.338 1.055 . . . . 0.0 111.397 -170.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.79 142.9 38.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.139 0.976 . . . . 0.0 111.179 -176.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.39 -124.74 26.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.872 0.749 . . . . 0.0 112.351 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -53.93 -31.4 50.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.981 1.312 . . . . 0.0 113.769 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.72 -34.86 67.37 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 112.577 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.15 -44.37 65.67 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.4 -41.89 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.015 0.926 . . . . 0.0 111.718 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.62 -41.73 91.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.789 1.236 . . . . 0.0 111.699 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.37 -36.98 71.65 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -42.45 98.43 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.307 -0.87 . . . . 0.0 110.745 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.63 -33.5 75.09 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.23 -30.69 70.67 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.125 -0.984 . . . . 0.0 112.112 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.38 -44.5 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.607 1.163 . . . . 0.0 112.497 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.3 m -108.53 -18.03 13.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -169.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.36 -131.11 48.64 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.62 1.105 . . . . 0.0 113.772 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.85 -2.54 27.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -67.75 -28.05 67.3 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.445 1.021 . . . . 0.0 113.011 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.54 153.46 15.23 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.015 1.293 . . . . 0.0 113.764 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -154.28 170.13 22.02 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.325 1.45 . . . . 0.0 113.045 -172.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -115.95 153.73 31.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.315 1.846 . . . . 0.0 111.946 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -154.26 166.76 32.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.5 1.52 . . . . 0.0 110.581 169.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.8 t -143.55 161.85 37.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.06 0.944 . . . . 0.0 112.565 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -87.2 152.12 52.41 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 126.063 1.745 . . . . 0.0 112.315 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.3 -14.5 16.42 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 113.878 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.092 2.157 . . . . 0.0 112.983 -176.473 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 tt -76.05 -35.47 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -172.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.23 -29.36 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 120.91 -1.119 . . . . 0.0 111.744 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.67 5.07 5.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.482 1.913 . . . . 0.0 113.452 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -128.09 -43.64 1.48 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 112.234 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.31 -6.24 23.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -169.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.1 -37.93 5.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.743 1.217 . . . . 0.0 111.851 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 p -71.85 -30.7 65.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.72 172.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -138.19 -163.62 1.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.5 2.32 . . . . 0.0 109.242 171.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.33 141.81 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.971 1.309 . . . . 0.0 111.629 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.0 m -122.09 147.31 46.28 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.307 1.843 . . . . 0.0 112.675 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -90.07 164.24 14.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.072 1.349 . . . . 0.0 110.508 169.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.27 -26.31 60.63 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -68.76 -29.46 67.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.947 0.899 . . . . 0.0 112.563 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -77.22 -27.11 53.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.92 0.888 . . . . 0.0 111.878 171.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.55 -33.01 54.23 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.749 0.704 . . . . 0.0 112.321 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.86 -25.44 65.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -58.95 -22.81 60.78 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.295 1.038 . . . . 0.0 112.963 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -105.25 -3.84 22.38 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.764 1.625 . . . . 0.0 113.811 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.33 147.25 49.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.922 0.783 . . . . 0.0 111.276 169.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 125.825 1.65 . . . . 0.0 111.673 172.443 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.871 -0.109 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.85 136.89 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 0.0 111.736 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 65.46 0.91 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.493 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.24 -53.86 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -178.45 51.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.154 2.182 . . . . 0.0 110.527 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.28 120.04 18.35 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.486 -1.384 . . . . 0.0 111.514 -169.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.45 143.32 39.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 111.539 -175.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.41 -123.73 32.49 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.773 0.701 . . . . 0.0 112.399 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.44 -33.51 44.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.88 1.272 . . . . 0.0 113.294 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -76.99 -28.78 55.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.995 0.918 . . . . 0.0 112.477 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.18 -50.79 44.37 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.526 0.73 . . . . 0.0 109.726 173.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.24 -30.18 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.48 -39.88 92.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.551 0.74 . . . . 0.0 111.617 169.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.69 -35.28 67.62 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.68 -0.637 . . . . 0.0 112.102 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.53 88.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.139 174.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -60.68 -40.1 90.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.354 1.062 . . . . 0.0 112.367 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.05 -29.27 70.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.743 0.817 . . . . 0.0 112.166 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.31 -45.93 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.599 1.16 . . . . 0.0 112.456 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.79 -20.35 46.39 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.385 0.993 . . . . 0.0 113.584 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.64 -117.5 11.17 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 112.436 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.62 -11.9 60.1 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -86.42 150.23 24.45 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.655 1.182 . . . . 0.0 112.025 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.3 173.4 46.14 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.207 0.908 . . . . 0.0 113.74 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -151.46 165.01 35.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.908 1.283 . . . . 0.0 112.17 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -115.41 148.29 39.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.787 1.235 . . . . 0.0 112.42 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -138.9 171.8 13.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.61 1.964 . . . . 0.0 110.917 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p -71.28 -11.56 60.98 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.52 150.99 73.75 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 125.941 1.696 . . . . 0.0 111.985 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.4 -25.33 9.86 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 123.445 2.763 . . . . 0.0 112.731 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 77.3 m . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.883 2.073 . . . . 0.0 110.171 179.371 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.3 tt -79.15 -31.74 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.325 1.05 . . . . 0.0 113.302 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.81 -33.75 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.337 -0.852 . . . . 0.0 111.409 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.78 8.48 2.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.319 1.848 . . . . 0.0 113.737 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -128.16 -48.79 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.509 1.524 . . . . 0.0 111.793 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.5 m -92.96 -20.14 20.91 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -171.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -106.77 -37.22 6.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.39 1.076 . . . . 0.0 112.046 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -78.81 -23.29 45.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.673 0.789 . . . . 0.0 112.853 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 t -139.3 -158.9 0.9 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.53 2.332 . . . . 0.0 108.704 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.81 137.5 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.088 1.355 . . . . 0.0 109.855 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.4 165.37 16.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.244 1.417 . . . . 0.0 112.984 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -106.22 152.9 22.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.07 1.748 . . . . 0.0 112.609 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -26.62 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.683 1.193 . . . . 0.0 114.131 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.39 -26.36 66.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.855 0.862 . . . . 0.0 112.793 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -75.05 -35.91 61.85 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.469 1.108 . . . . 0.0 111.109 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.99 -32.23 73.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.296 0.639 . . . . 0.0 112.274 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.91 -22.87 62.97 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.14 -21.57 64.91 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.307 -0.871 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -100.76 -7.04 24.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.198 1.799 . . . . 0.0 113.243 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -77.22 146.11 37.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.577 1.151 . . . . 0.0 110.792 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.768 1.227 . . . . 0.0 114.185 -175.87 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.054 -0.022 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 m -121.07 135.35 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.456 1.502 . . . . 0.0 112.372 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -140.38 56.23 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.878 1.671 . . . . 0.0 111.149 -168.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -129.92 59.93 1.61 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.318 1.447 . . . . 0.0 111.182 -170.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.4 p80 42.73 60.4 2.45 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.549 1.94 . . . . 0.0 113.165 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.47 128.27 35.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.762 1.625 . . . . 0.0 111.369 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -135.65 146.33 47.72 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.078 0.951 . . . . 0.0 110.866 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.6 -123.98 30.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.736 0.684 . . . . 0.0 112.648 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -50.16 -36.77 31.6 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.556 1.543 . . . . 0.0 113.545 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -71.5 -31.64 67.33 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.774 0.83 . . . . 0.0 112.964 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.96 -39.45 34.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.063 0.945 . . . . 0.0 110.741 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.86 -31.65 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.97 -37.14 81.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.945 0.898 . . . . 0.0 111.887 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.18 -32.87 61.36 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.603 -0.686 . . . . 0.0 112.387 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -40.55 96.59 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.591 -0.693 . . . . 0.0 111.168 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -64.49 -36.4 84.07 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.136 0.974 . . . . 0.0 112.639 172.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.36 -34.4 78.24 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.156 -0.965 . . . . 0.0 112.496 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.15 -44.88 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.869 1.268 . . . . 0.0 112.703 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.0 t -90.8 -12.68 35.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.01 1.324 . . . . 0.0 113.846 -174.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.91 -148.46 48.0 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.301 0.953 . . . . 0.0 112.637 -173.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.54 -1.22 15.12 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -77.76 149.76 34.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.115 1.366 . . . . 0.0 112.178 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.55 73.71 1.37 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.116 1.341 . . . . 0.0 115.024 -172.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -61.33 162.0 8.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.28 1.032 . . . . 0.0 112.231 169.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -111.22 150.74 29.13 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.42 1.088 . . . . 0.0 112.278 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -139.14 139.88 37.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.249 1.42 . . . . 0.0 110.781 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -93.32 17.02 11.93 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -169.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 64.69 161.98 0.12 Allowed Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 128.05 2.54 . . . . 0.0 114.363 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.98 -24.57 33.14 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.847 2.365 . . . . 0.0 114.432 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.367 1.867 . . . . 0.0 110.868 -174.725 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -75.54 -33.36 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -169.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.29 -28.54 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.75 -1.219 . . . . 0.0 111.798 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -73.09 11.57 0.69 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.099 1.76 . . . . 0.0 113.935 169.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -129.11 -46.04 1.24 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.964 1.706 . . . . 0.0 110.909 169.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -81.78 -23.33 36.64 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -111.02 -39.39 4.8 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.525 1.057 . . . . 0.0 113.305 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -72.33 -24.09 61.25 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.839 0.856 . . . . 0.0 112.494 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -133.95 -154.95 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.644 2.378 . . . . 0.0 108.566 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.97 134.2 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.872 1.269 . . . . 0.0 109.628 172.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.7 164.44 13.03 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.021 1.328 . . . . 0.0 112.965 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -113.9 153.2 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.934 1.694 . . . . 0.0 112.234 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -28.6 63.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.529 1.132 . . . . 0.0 113.929 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -68.04 -25.64 65.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.603 0.761 . . . . 0.0 112.727 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -80.89 -36.72 30.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.042 1.337 . . . . 0.0 111.072 170.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.82 -33.73 75.83 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.646 0.657 . . . . 0.0 112.365 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.58 -16.73 41.01 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 173.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -69.6 -21.41 63.59 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.449 1.022 . . . . 0.0 112.765 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -105.09 -11.77 16.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.339 1.456 . . . . 0.0 113.407 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.15 147.95 51.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.62 0.768 . . . . 0.0 112.294 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.432 1.493 . . . . 0.0 112.582 177.119 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.785 -0.15 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.77 135.39 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.791 1.637 . . . . 0.0 111.416 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -135.52 56.77 1.82 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.677 1.991 . . . . 0.0 111.285 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -126.81 64.58 1.28 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.306 1.443 . . . . 0.0 111.995 -169.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 p80 42.82 55.6 4.28 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.58 1.952 . . . . 0.0 113.242 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.07 118.65 6.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.865 1.666 . . . . 0.0 112.0 -169.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.89 143.43 42.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.132 1.373 . . . . 0.0 111.277 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.09 -126.29 38.3 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.824 0.726 . . . . 0.0 112.483 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.37 -27.51 47.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.495 1.118 . . . . 0.0 113.672 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -75.81 -29.08 58.57 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.107 0.867 . . . . 0.0 112.587 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.16 -43.38 61.61 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.662 0.785 . . . . 0.0 109.986 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.29 -43.1 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 110.706 172.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.14 -41.6 97.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.656 1.182 . . . . 0.0 112.351 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -41.29 77.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 112.623 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.53 -40.66 96.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.49 -0.756 . . . . 0.0 111.437 173.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.66 -37.12 86.12 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.46 1.027 . . . . 0.0 112.867 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.39 -33.69 76.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.086 0.955 . . . . 0.0 112.259 177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -87.47 -44.75 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.243 1.017 . . . . 0.0 112.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -88.43 -19.62 26.31 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -173.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.97 -146.17 49.07 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.689 1.138 . . . . 0.0 114.172 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -57.61 -26.47 61.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.48 1.512 . . . . 0.0 114.472 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.08 -20.51 62.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.551 1.14 . . . . 0.0 113.408 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.85 -175.18 54.58 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.685 1.136 . . . . 0.0 114.351 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -157.82 163.36 38.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.061 1.344 . . . . 0.0 112.746 -170.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -90.01 145.1 25.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.391 1.476 . . . . 0.0 111.222 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -139.52 138.24 36.16 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.194 1.397 . . . . 0.0 109.941 171.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -75.26 118.63 18.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.713 0.805 . . . . 0.0 111.737 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -67.58 154.22 93.6 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.423 1.089 . . . . 0.0 112.778 -177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.34 -25.89 63.83 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.182 2.588 . . . . 0.0 114.87 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 N--CA 1.482 1.132 0 C-N-CA 126.261 1.825 . . . . 0.0 112.255 -176.003 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.97 -39.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.67 -30.68 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.532 -0.73 . . . . 0.0 112.449 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.74 -14.83 63.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.668 1.187 . . . . 0.0 113.156 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -102.39 -54.47 2.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.109 1.363 . . . . 0.0 111.786 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.1 -28.32 39.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -168.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.98 -30.72 28.0 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.75 0.705 . . . . 0.0 111.698 173.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 m -87.54 -41.6 13.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.762 1.225 . . . . 0.0 113.406 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -130.25 3.56 4.74 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt 67.71 148.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.054 2.142 . . . . 0.0 113.349 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -132.63 141.04 48.46 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.651 1.58 . . . . 0.0 113.241 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.1 p -86.81 165.09 16.26 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.242 1.417 . . . . 0.0 109.843 168.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.9 -28.53 37.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -70.41 -29.97 66.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.795 0.838 . . . . 0.0 112.545 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -74.72 -36.11 62.68 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.273 0.629 . . . . 0.0 111.164 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.66 -36.92 79.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.43 0.692 . . . . 0.0 111.843 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.72 -18.28 53.43 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.54 -16.68 63.92 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.248 -0.907 . . . . 0.0 113.208 175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -115.38 3.3 14.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.521 1.529 . . . . 0.0 114.301 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.6 m -74.5 149.25 40.36 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.151 -0.968 . . . . 0.0 112.688 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.263 0.7 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.743 2.417 . . . . 0.0 115.245 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 p90 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.8 163.07 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.556 . . . . 0.0 111.639 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -111.05 58.87 0.61 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.198 1.399 . . . . 0.0 109.347 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -122.58 47.38 1.95 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.66 1.584 . . . . 0.0 114.109 -169.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 p80 44.87 52.0 8.27 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.082 1.753 . . . . 0.0 114.295 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.16 135.94 56.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.904 1.282 . . . . 0.0 110.508 -173.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.51 140.54 33.5 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.66 1.184 . . . . 0.0 111.593 -173.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.98 -121.29 18.2 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.866 0.746 . . . . 0.0 112.853 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -51.63 -37.07 48.51 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.355 1.462 . . . . 0.0 113.306 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -73.73 -29.56 62.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.572 0.749 . . . . 0.0 112.585 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.94 -43.84 42.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.425 0.69 . . . . 0.0 110.788 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 m -68.06 -31.82 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.65 -39.21 90.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.409 0.683 . . . . 0.0 111.758 171.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 -38.21 63.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.16 0.584 . . . . 0.0 111.844 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 tp -65.25 -43.3 91.81 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.694 1.198 . . . . 0.0 111.012 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.27 -39.74 93.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.812 0.845 . . . . 0.0 112.368 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.62 -28.3 66.78 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.663 -0.648 . . . . 0.0 112.375 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -84.24 -44.47 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.164 0.985 . . . . 0.0 112.165 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.03 -23.65 38.46 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.65 -148.65 47.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.106 1.336 . . . . 0.0 114.249 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.42 -7.13 17.38 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -80.12 -8.85 59.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.011 1.324 . . . . 0.0 113.578 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.58 175.34 40.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.095 1.331 . . . . 0.0 114.589 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -153.27 163.52 39.76 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.833 1.253 . . . . 0.0 112.823 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -108.14 150.49 27.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.739 1.616 . . . . 0.0 110.689 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -142.24 137.67 30.88 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 0.0 110.789 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -82.64 64.22 7.16 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.997 1.319 . . . . 0.0 112.393 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -56.06 119.0 23.6 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 126.054 1.742 . . . . 0.0 111.575 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.42 -31.24 0.5 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.064 2.509 . . . . 0.0 113.138 -177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.304 2.242 . . . . 0.0 110.921 -177.834 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.589 HD13 ' CE1' ' A' ' 19' ' ' TYR . 8.3 tp -70.71 -33.47 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.08 0.952 . . . . 0.0 112.955 -174.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.88 -30.74 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.949 -1.094 . . . . 0.0 112.167 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.71 7.65 3.65 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.909 1.684 . . . . 0.0 113.01 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -128.39 -43.08 1.46 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.026 1.73 . . . . 0.0 112.638 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.68 -12.98 18.72 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -108.43 -38.91 5.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.103 0.961 . . . . 0.0 112.163 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 p -73.85 -29.56 62.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.788 . . . . 0.0 112.428 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -143.46 -177.43 5.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.759 2.424 . . . . 0.0 110.512 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.0 mm -86.38 140.57 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.69 0.796 . . . . 0.0 109.204 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.04 -157.73 0.75 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.952 1.301 . . . . 0.0 113.04 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 t -142.83 150.59 40.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.736 1.615 . . . . 0.0 111.67 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -57.74 -27.58 63.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.723 1.209 . . . . 0.0 113.73 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -73.72 -27.29 61.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.392 -0.818 . . . . 0.0 112.43 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -79.69 -19.47 48.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.013 0.925 . . . . 0.0 111.942 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.47 -41.87 45.65 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.1 0.864 . . . . 0.0 110.502 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.04 -19.65 63.11 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.508 -1.37 . . . . 0.0 114.042 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -56.58 -24.8 49.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.013 0.925 . . . . 0.0 113.408 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.589 ' CE1' HD13 ' A' ' 2' ' ' ILE . 84.9 m-85 -102.25 -3.03 27.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.276 1.43 . . . . 0.0 113.436 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 t -91.12 150.71 21.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.743 1.617 . . . . 0.0 111.98 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t30 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.694 1.998 . . . . 0.0 112.846 178.146 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.885 -0.043 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -75.89 117.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.02 0.928 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -136.04 11.56 3.34 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.947 1.299 . . . . 0.0 113.194 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -79.36 76.02 5.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.551 1.94 . . . . 0.0 113.507 -170.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 54.32 37.51 27.61 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.026 1.33 . . . . 0.0 114.305 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.49 133.25 50.86 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.32 -0.862 . . . . 0.0 108.964 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.4 147.03 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.285 1.034 . . . . 0.0 111.55 -173.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 -127.6 45.3 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.418 0.532 . . . . 0.0 112.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -52.18 -33.36 40.33 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.637 1.175 . . . . 0.0 113.513 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -71.91 -31.89 66.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.371 0.669 . . . . 0.0 112.765 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.93 -39.75 41.81 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.964 0.506 . . . . 0.0 110.787 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.67 -40.84 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.781 0.832 . . . . 0.0 110.877 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -64.18 -40.76 96.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.726 1.21 . . . . 0.0 112.927 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -38.94 77.99 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.454 1.025 . . . . 0.0 111.971 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.96 -39.57 87.28 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 110.995 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -64.24 -42.07 96.69 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.179 0.992 . . . . 0.0 112.452 169.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -30.32 69.33 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.904 0.775 . . . . 0.0 112.158 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -78.39 -46.84 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.28 1.032 . . . . 0.0 111.997 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.59 -33.79 47.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -171.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.54 -143.44 48.07 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.606 1.098 . . . . 0.0 112.972 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -74.67 -0.11 16.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.58 -33.91 77.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.384 1.074 . . . . 0.0 112.982 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 144.94 6.81 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.611 1.577 . . . . 0.0 114.132 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.77 163.82 31.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.004 1.322 . . . . 0.0 113.42 -171.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -100.04 147.32 25.75 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.474 1.51 . . . . 0.0 111.74 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 N--CA 1.469 0.475 0 C-N-CA 124.762 1.225 . . . . 0.0 111.124 174.812 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -66.4 -28.2 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -169.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.55 -31.61 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.422 -0.799 . . . . 0.0 111.733 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.47 8.42 5.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.547 1.539 . . . . 0.0 112.917 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.3 -52.48 1.5 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.808 1.643 . . . . 0.0 112.54 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.97 -17.18 21.21 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -170.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -100.4 -42.94 6.41 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.945 0.898 . . . . 0.0 111.617 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -76.46 -24.31 53.88 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.325 -0.859 . . . . 0.0 113.072 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -146.61 -167.65 2.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.12 2.168 . . . . 0.0 110.027 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.97 142.7 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.356 1.062 . . . . 0.0 110.5 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.97 161.78 32.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.081 1.352 . . . . 0.0 111.855 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 p -101.16 163.78 12.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.006 1.322 . . . . 0.0 112.277 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -53.67 -26.12 21.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.704 1.201 . . . . 0.0 114.001 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -73.96 -30.74 62.68 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.082 0.855 . . . . 0.0 111.663 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -73.62 -26.22 60.68 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.544 0.737 . . . . 0.0 111.775 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.05 -44.23 48.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.677 0.791 . . . . 0.0 111.46 172.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.42 -18.9 64.21 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.56 -19.01 45.47 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.899 0.88 . . . . 0.0 113.011 172.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -109.15 10.51 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -107.96 153.53 22.94 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.303 2.241 . . . . 0.0 113.653 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.708 0.289 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.68 148.05 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.491 1.516 . . . . 0.0 111.833 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -141.09 54.01 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.753 2.021 . . . . 0.0 111.359 -170.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -145.75 62.39 1.26 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.75 1.22 . . . . 0.0 113.898 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 52.0 59.75 4.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.372 1.469 . . . . 0.0 113.702 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.41 131.18 35.27 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.39 1.076 . . . . 0.0 109.452 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 m -136.36 145.87 45.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.486 1.115 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.02 -128.23 47.03 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.328 0.49 . . . . 0.0 112.569 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m -53.79 -30.01 42.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.599 1.16 . . . . 0.0 113.655 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -72.05 -32.65 67.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.786 0.835 . . . . 0.0 112.646 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.76 -33.26 40.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.071 0.948 . . . . 0.0 111.082 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.18 -42.75 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.069 0.948 . . . . 0.0 110.507 169.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -59.97 -44.23 94.59 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.202 1.001 . . . . 0.0 111.828 172.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.14 93.44 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.702 -0.624 . . . . 0.0 112.017 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -46.23 82.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.044 -0.41 . . . . 0.0 111.392 175.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.75 -39.05 83.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.06 0.544 . . . . 0.0 112.287 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 tp -69.46 -29.94 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -85.38 -42.62 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.45 1.1 . . . . 0.0 112.666 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -84.48 -36.91 21.94 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 -138.98 46.79 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.97 0.795 . . . . 0.0 112.91 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.75 -2.3 19.85 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.5 -23.25 64.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.33 1.052 . . . . 0.0 113.614 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.77 144.81 1.77 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.555 1.55 . . . . 0.0 113.798 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.23 160.89 38.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -171.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -123.22 74.07 1.21 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.541 1.936 . . . . 0.0 111.633 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 124.663 1.185 . . . . 0.0 112.386 174.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.404 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.0 tt -88.36 -42.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -172.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.01 -31.93 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 121.17 -0.956 . . . . 0.0 112.465 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.81 -9.85 23.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 114.045 171.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -104.4 -54.39 2.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.241 1.416 . . . . 0.0 111.164 171.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.9 -9.52 58.66 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -169.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -101.59 -42.82 6.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.174 0.99 . . . . 0.0 111.144 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.48 -34.57 77.42 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 121.199 -0.938 . . . . 0.0 112.286 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -135.38 -158.33 0.87 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.172 2.189 . . . . 0.0 109.864 173.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.42 147.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.861 1.265 . . . . 0.0 111.509 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -122.8 146.43 47.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.375 1.47 . . . . 0.0 112.923 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -89.66 153.86 20.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.257 1.823 . . . . 0.0 111.325 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.16 -28.8 63.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.17 -27.85 66.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.292 0.637 . . . . 0.0 112.675 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.9 -25.47 43.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.905 1.282 . . . . 0.0 111.873 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.57 -38.77 54.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.456 0.703 . . . . 0.0 111.812 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -59.1 -22.97 61.67 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -60.8 -17.34 48.89 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.832 0.853 . . . . 0.0 113.111 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' HD12 ' A' ' 2' ' ' ILE . 66.2 m-85 -101.55 5.16 41.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.689 1.196 . . . . 0.0 113.341 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.98 156.61 19.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.586 1.554 . . . . 0.0 112.463 169.858 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.864 -0.112 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -119.72 140.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.078 1.351 . . . . 0.0 111.754 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -146.31 44.32 1.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.442 1.097 . . . . 0.0 113.379 -168.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -129.42 71.78 1.45 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.161 0.984 . . . . 0.0 112.716 -170.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 48.76 53.91 11.58 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.261 1.424 . . . . 0.0 113.446 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.468 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.8 mm? -66.07 121.76 15.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.281 1.032 . . . . 0.0 110.656 -173.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 141.47 45.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.89 1.276 . . . . 0.0 111.347 -172.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.26 -124.36 32.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.699 0.666 . . . . 0.0 112.725 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -29.17 57.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.237 1.015 . . . . 0.0 113.704 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -75.79 -30.21 58.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.202 0.91 . . . . 0.0 112.335 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.53 -47.15 61.78 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.593 0.757 . . . . 0.0 109.488 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.59 -42.34 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.31 1.044 . . . . 0.0 111.044 173.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.15 -41.01 97.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.353 1.061 . . . . 0.0 112.484 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.67 77.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.486 1.039 . . . . 0.0 112.319 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -45.12 93.9 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.346 -0.846 . . . . 0.0 111.402 175.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -64.94 -35.8 82.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.145 0.978 . . . . 0.0 112.545 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -66.16 -31.99 73.17 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.237 -0.914 . . . . 0.0 111.767 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.58 -43.57 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.564 1.146 . . . . 0.0 112.68 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.27 -14.6 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 -119.2 17.05 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.578 1.081 . . . . 0.0 113.438 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.34 -12.04 60.42 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -72.6 129.66 38.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.865 0.866 . . . . 0.0 109.992 172.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.16 151.84 49.6 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.362 0.506 . . . . 0.0 111.975 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -138.74 152.5 48.02 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.097 0.959 . . . . 0.0 113.353 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -107.49 59.31 0.62 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.568 1.947 . . . . 0.0 112.522 -169.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 t80 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.673 1.189 . . . . 0.0 112.231 178.055 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 19' ' ' TYR . 14.1 tt -84.18 -36.96 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.69 -36.16 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.053 -1.029 . . . . 0.0 111.974 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 7.6 2.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.295 1.438 . . . . 0.0 114.138 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -127.67 -15.02 5.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.083 1.753 . . . . 0.0 113.987 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -118.57 -22.37 7.55 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.18 -34.37 9.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.466 1.106 . . . . 0.0 112.432 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 -34.68 67.89 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.959 1.303 . . . . 0.0 112.385 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -149.48 160.07 43.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.785 2.434 . . . . 0.0 109.441 171.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 mt -74.38 138.8 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.497 -0.752 . . . . 0.0 111.331 -172.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.17 163.07 17.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.448 . . . . 0.0 113.735 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 t -105.22 156.59 17.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.137 1.775 . . . . 0.0 112.371 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -55.95 -28.64 57.88 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.395 1.478 . . . . 0.0 114.228 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -65.67 -27.25 68.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.485 0.714 . . . . 0.0 112.446 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -81.33 -19.99 41.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.475 . . . . 0.0 112.13 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.5 -34.61 27.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.917 0.887 . . . . 0.0 111.809 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.53 -22.97 57.12 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -59.83 -26.53 65.87 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.521 1.128 . . . . 0.0 113.367 171.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 2' ' ' ILE . 93.5 m-85 -105.31 -9.49 17.6 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.399 1.48 . . . . 0.0 114.006 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -68.73 141.64 55.2 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.157 0.889 . . . . 0.0 111.844 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.431 1.492 . . . . 0.0 112.22 170.338 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.333 0.111 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 m -78.7 118.42 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.38 0.672 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.97 71.61 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.848 1.659 . . . . 0.0 109.781 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -134.91 66.29 1.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.802 1.641 . . . . 0.0 111.496 -173.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 p80 43.05 55.86 4.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.283 1.833 . . . . 0.0 113.87 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.592 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.6 mm? -60.88 124.89 21.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.336 1.454 . . . . 0.0 111.283 -169.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.47 142.42 31.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.734 1.214 . . . . 0.0 110.838 -176.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -123.91 32.14 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.79 0.709 . . . . 0.0 112.701 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.5 p -51.15 -36.06 38.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.925 1.29 . . . . 0.0 113.769 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -73.42 -29.19 62.42 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.739 0.816 . . . . 0.0 112.854 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.99 -47.84 49.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.581 0.752 . . . . 0.0 109.781 173.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.39 -40.84 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.052 0.941 . . . . 0.0 111.24 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.52 -41.53 96.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.139 0.976 . . . . 0.0 112.284 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.57 76.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.974 . . . . 0.0 112.305 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.69 -43.01 94.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.593 -0.692 . . . . 0.0 110.928 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -61.27 -37.34 82.77 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.39 0.995 . . . . 0.0 112.678 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.13 -32.85 74.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.926 0.89 . . . . 0.0 112.01 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.64 -43.95 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.648 1.179 . . . . 0.0 112.694 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 m -84.11 -18.07 38.08 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.37 -126.19 32.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.497 1.046 . . . . 0.0 112.779 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.25 -10.03 59.33 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -91.26 148.22 22.5 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.762 1.225 . . . . 0.0 111.612 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 177.16 33.68 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.226 0.917 . . . . 0.0 114.023 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -157.15 159.93 38.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.392 1.077 . . . . 0.0 113.149 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -89.4 142.92 27.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.74 0.816 . . . . 0.0 111.902 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 125.824 1.65 . . . . 0.0 110.554 172.133 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.1 tt -67.5 -35.92 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.273 1.029 . . . . 0.0 113.301 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.41 -34.43 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.343 1.057 . . . . 0.0 110.973 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -81.33 19.38 0.97 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.762 1.625 . . . . 0.0 113.107 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -128.45 -45.17 1.36 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.095 1.358 . . . . 0.0 113.415 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.51 -15.89 14.34 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -98.12 -27.45 14.19 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.864 0.756 . . . . 0.0 111.704 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p -88.39 -31.08 19.04 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.127 0.971 . . . . 0.0 113.266 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -142.06 -174.82 4.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.924 2.49 . . . . 0.0 110.304 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.4 mm -92.95 124.71 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.099 -1.001 . . . . 0.0 109.216 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -92.96 176.26 6.49 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -176.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -130.05 149.42 51.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.996 1.718 . . . . 0.0 110.25 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.89 -26.27 61.92 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.69 -27.04 65.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.706 0.802 . . . . 0.0 112.767 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.36 -33.48 42.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.404 1.082 . . . . 0.0 111.249 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.22 -32.38 70.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.403 0.681 . . . . 0.0 112.835 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.49 -15.4 49.84 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -57.52 -36.14 71.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.2 1.0 . . . . 0.0 112.095 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -96.39 -7.7 34.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.471 1.108 . . . . 0.0 113.663 -169.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -68.67 148.86 49.81 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.138 0.881 . . . . 0.0 112.919 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.252 1.421 . . . . 0.0 112.433 176.186 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.58 144.07 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.864 1.666 . . . . 0.0 110.705 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -145.96 13.76 1.31 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.949 1.7 . . . . 0.0 114.745 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -74.76 90.5 2.34 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.772 1.229 . . . . 0.0 112.093 -169.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.7 p80 47.43 47.69 16.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.624 1.97 . . . . 0.0 113.592 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.87 127.73 33.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 111.025 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -138.64 145.94 41.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.835 0.854 . . . . 0.0 110.567 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -127.74 43.06 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.771 0.7 . . . . 0.0 112.456 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -53.42 -30.59 41.04 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -71.3 -33.05 69.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.057 0.844 . . . . 0.0 112.945 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.69 -37.17 36.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.51 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.32 -39.99 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.217 1.007 . . . . 0.0 110.977 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.09 -37.21 86.61 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.79 1.236 . . . . 0.0 112.494 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.78 72.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.341 -0.849 . . . . 0.0 112.088 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 15' ' ' LEU . 7.2 tp -68.37 -38.51 81.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.64 -0.662 . . . . 0.0 111.691 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -63.95 -37.85 88.92 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.669 -0.645 . . . . 0.0 112.343 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.96 -35.67 81.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.327 -0.858 . . . . 0.0 112.354 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.93 -44.24 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.407 1.083 . . . . 0.0 112.612 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.1 m -89.37 -18.68 26.39 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -174.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.57 -154.25 45.76 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.64 1.114 . . . . 0.0 114.813 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.73 16.61 0.27 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.74 1.616 . . . . 0.0 114.434 -175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -101.77 -15.39 16.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.908 1.683 . . . . 0.0 112.96 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.5 -173.73 55.2 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.526 1.06 . . . . 0.0 115.029 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -154.44 165.43 36.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.736 1.614 . . . . 0.0 112.242 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.29 89.85 3.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.084 1.754 . . . . 0.0 109.544 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 t80 . . . . . 0 CA--C 1.545 0.759 0 O-C-N 121.541 -0.724 . . . . 0.0 111.164 -176.886 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.52 -34.07 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.03 -34.75 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.273 -0.892 . . . . 0.0 111.874 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.69 -7.05 41.76 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.924 1.29 . . . . 0.0 113.214 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -125.73 -24.18 3.88 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.5 m -112.61 -14.19 13.21 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -112.72 -43.57 3.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.727 1.211 . . . . 0.0 111.774 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -75.23 -23.66 57.59 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.013 0.824 . . . . 0.0 111.622 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -137.3 174.64 10.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.914 2.085 . . . . 0.0 110.068 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -90.89 142.18 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.924 0.89 . . . . 0.0 109.952 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 p -135.18 161.21 36.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.264 1.026 . . . . 0.0 113.194 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -94.62 163.27 13.45 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.076 1.351 . . . . 0.0 113.725 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.9 -27.73 63.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.69 1.196 . . . . 0.0 113.802 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.15 -27.88 61.05 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.18 -0.95 . . . . 0.0 112.046 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -75.4 -25.13 57.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.465 1.106 . . . . 0.0 111.673 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.56 -35.44 60.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.039 0.836 . . . . 0.0 111.896 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.56 -21.29 65.47 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -58.76 -22.51 58.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.922 0.889 . . . . 0.0 112.595 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.95 0.8 24.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.003 1.721 . . . . 0.0 113.825 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.37 158.37 35.22 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.352 0.978 . . . . 0.0 112.242 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.401 2.28 . . . . 0.0 112.784 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.029 -0.034 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.95 139.56 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.349 1.46 . . . . 0.0 112.363 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -141.22 46.9 1.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.781 1.633 . . . . 0.0 111.666 -169.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -131.25 60.04 1.67 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.795 1.638 . . . . 0.0 112.099 -170.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.0 p80 46.65 52.39 11.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.698 1.999 . . . . 0.0 114.397 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.481 HD22 ' H ' ' B' ' 6' ' ' LEU . 2.0 mm? -62.34 131.37 49.06 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.643 1.177 . . . . 0.0 109.396 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.59 146.48 41.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.255 1.022 . . . . 0.0 111.616 -173.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.51 -126.59 41.62 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.532 0.587 . . . . 0.0 112.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.26 -32.01 35.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.622 1.169 . . . . 0.0 113.729 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -73.49 -32.21 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.819 0.736 . . . . 0.0 112.778 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.28 -35.31 55.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.234 0.614 . . . . 0.0 110.953 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.98 -42.2 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.579 1.152 . . . . 0.0 110.865 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.6 -40.8 97.85 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.365 1.066 . . . . 0.0 112.28 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.83 84.07 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.39 85.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.582 0.753 . . . . 0.0 111.387 173.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.26 -38.53 89.65 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.434 0.694 . . . . 0.0 112.345 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.18 -33.06 74.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.348 1.059 . . . . 0.0 112.178 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -86.21 -46.1 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.541 1.136 . . . . 0.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -81.62 -35.38 30.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 -132.02 52.34 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.781 0.705 . . . . 0.0 112.491 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -5.79 25.57 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.67 -19.73 63.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.057 0.943 . . . . 0.0 113.341 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.89 175.53 15.51 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.359 0.981 . . . . 0.0 113.117 -171.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -161.1 170.07 21.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.239 1.016 . . . . 0.0 113.228 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.51 155.94 33.88 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.535 1.534 . . . . 0.0 110.955 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.437 1.095 . . . . 0.0 111.801 -173.281 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -73.7 -39.01 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.4 -30.82 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.255 -0.903 . . . . 0.0 112.616 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.11 -15.39 63.05 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 113.035 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -102.87 -55.39 2.44 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.69 1.596 . . . . 0.0 111.573 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 m -80.56 -28.2 37.3 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -169.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -74.21 -37.61 63.82 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.44 0.563 . . . . 0.0 110.73 171.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -81.95 -42.49 19.36 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.164 1.386 . . . . 0.0 113.43 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -132.39 6.0 4.1 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt 66.97 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.338 1.855 . . . . 0.0 112.992 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -128.49 145.06 51.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.994 1.318 . . . . 0.0 113.068 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.9 p -86.23 155.79 20.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.173 1.789 . . . . 0.0 110.448 168.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.19 -29.32 65.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.084 -1.01 . . . . 0.0 113.365 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.72 -28.93 69.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.596 1.159 . . . . 0.0 113.749 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -94.97 -4.74 46.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -85.03 -33.87 22.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.446 0.699 . . . . 0.0 110.103 167.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -57.53 -22.14 42.51 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.455 1.102 . . . . 0.0 113.722 172.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -57.27 -27.78 62.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.016 1.326 . . . . 0.0 113.307 171.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -104.13 -10.68 17.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.427 1.491 . . . . 0.0 113.776 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.92 152.56 45.47 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.307 0.958 . . . . 0.0 112.32 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.945 1.698 . . . . 0.0 112.582 175.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.31 138.26 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.305 1.442 . . . . 0.0 112.306 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -142.96 62.28 1.4 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.751 1.221 . . . . 0.0 111.148 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -133.41 66.24 1.56 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.075 1.35 . . . . 0.0 112.412 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 48.79 56.88 7.01 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.299 1.44 . . . . 0.0 113.235 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.16 126.13 28.55 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.641 -0.662 . . . . 0.0 109.786 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -146.56 141.47 27.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.005 . . . . 0.0 111.022 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 -131.5 52.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 122.144 -0.348 . . . . 0.0 112.424 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -51.55 -29.61 17.63 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -73.81 -28.17 61.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.263 -0.898 . . . . 0.0 112.856 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -81.18 -34.4 32.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.299 1.04 . . . . 0.0 111.342 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.66 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.066 0.946 . . . . 0.0 109.855 169.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -40.08 92.31 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.886 1.274 . . . . 0.0 112.59 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.32 91.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.191 -0.943 . . . . 0.0 112.312 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.1 -45.31 89.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.958 0.503 . . . . 0.0 111.689 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -56.98 -41.01 77.61 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.084 0.953 . . . . 0.0 112.532 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 tp -66.07 -37.63 86.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.74 1.216 . . . . 0.0 112.313 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.52 -42.43 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -79.37 -16.42 56.29 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.58 51.02 60.41 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.378 0.99 . . . . 0.0 114.333 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 62.81 9.65 3.77 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.17 -16.39 61.43 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.764 -1.21 . . . . 0.0 113.454 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.17 160.27 36.33 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.596 1.569 . . . . 0.0 113.465 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.37 162.52 33.41 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.193 1.397 . . . . 0.0 112.576 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -91.36 140.84 29.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.24 1.016 . . . . 0.0 111.214 169.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 t80 . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 125.135 1.374 . . . . 0.0 110.581 176.871 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 19' ' ' TYR . 9.2 tt -67.99 -36.46 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.847 1.259 . . . . 0.0 113.613 -170.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.14 -35.99 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.287 0.635 . . . . 0.0 111.54 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.17 -17.15 64.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.029 0.932 . . . . 0.0 112.529 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -94.06 -60.63 1.7 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.949 1.3 . . . . 0.0 111.022 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.69 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -171.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -82.17 -33.63 29.41 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.795 0.725 . . . . 0.0 112.139 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.8 m -103.64 -38.59 7.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -127.15 5.07 6.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -168.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 mm 66.41 150.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.361 1.865 . . . . 0.0 112.493 -170.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -138.2 -165.15 1.75 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.622 1.569 . . . . 0.0 111.765 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -145.66 154.68 42.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.186 1.394 . . . . 0.0 111.063 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -60.34 -27.58 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -69.07 -26.17 64.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.954 0.902 . . . . 0.0 112.614 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -81.55 -37.45 27.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.42 1.088 . . . . 0.0 111.17 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.88 -35.68 77.27 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.106 0.866 . . . . 0.0 111.603 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.48 -23.3 64.38 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -65.4 -16.55 63.73 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.234 0.925 . . . . 0.0 112.693 174.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' HD12 ' A' ' 2' ' ' ILE . 84.0 m-85 -107.26 -0.23 22.72 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.058 1.743 . . . . 0.0 113.471 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.9 m -69.72 151.82 45.38 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.283 -0.886 . . . . 0.0 111.884 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.4 t30 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.845 1.658 . . . . 0.0 112.511 175.453 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.78 133.44 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.262 1.025 . . . . 0.0 111.623 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -135.46 16.59 3.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.923 1.289 . . . . 0.0 113.264 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.67 89.25 1.32 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.897 1.679 . . . . 0.0 112.917 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 52.38 54.05 11.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.441 1.496 . . . . 0.0 112.262 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.5 mt -77.65 123.55 26.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.433 0.693 . . . . 0.0 110.41 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 m -135.85 139.89 43.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.335 1.054 . . . . 0.0 110.494 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.29 -122.41 21.19 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.402 0.525 . . . . 0.0 112.497 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.62 -32.78 52.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.834 1.254 . . . . 0.0 113.938 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -74.18 -33.27 63.41 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 112.941 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.414 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.1 tm? -71.1 -47.74 56.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.218 0.607 . . . . 0.0 109.503 172.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.49 -38.57 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.899 1.28 . . . . 0.0 111.9 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -41.68 94.33 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.733 1.213 . . . . 0.0 112.397 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.52 71.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.619 -0.676 . . . . 0.0 112.554 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -45.66 93.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.504 0.722 . . . . 0.0 110.818 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -62.14 -39.52 92.87 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.38 0.672 . . . . 0.0 112.278 173.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.0 tp -67.75 -30.54 70.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.393 0.677 . . . . 0.0 112.239 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.0 -50.02 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.431 1.092 . . . . 0.0 112.159 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.33 -30.13 33.96 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.0 -146.8 48.64 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.267 0.937 . . . . 0.0 113.143 -173.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.02 -2.89 8.52 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.79 -31.52 72.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.401 1.48 . . . . 0.0 113.129 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.77 168.01 44.19 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.947 1.261 . . . . 0.0 113.52 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -159.74 174.12 15.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.773 1.629 . . . . 0.0 112.126 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.13 158.86 34.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.999 1.32 . . . . 0.0 111.724 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 CA--C 1.536 0.441 0 C-N-CA 124.945 1.298 . . . . 0.0 111.41 -177.058 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -66.28 -35.61 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.483 -1.01 . . . . 0.0 113.58 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.82 -30.54 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.299 1.04 . . . . 0.0 112.034 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -69.98 -10.61 59.2 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.872 1.269 . . . . 0.0 112.818 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -113.66 -58.28 2.17 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.014 1.326 . . . . 0.0 112.31 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.69 -21.26 21.72 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -170.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -101.9 -41.34 6.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.355 1.062 . . . . 0.0 111.337 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -80.12 -26.89 39.25 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.748 0.819 . . . . 0.0 111.96 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -135.65 -163.25 1.36 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.589 1.956 . . . . 0.0 109.331 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mm -81.87 137.21 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.797 0.839 . . . . 0.0 111.618 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -77.49 155.63 31.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.858 1.263 . . . . 0.0 114.139 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -140.91 131.17 24.96 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.726 1.21 . . . . 0.0 110.665 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.93 -27.61 68.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.342 1.057 . . . . 0.0 113.159 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -67.34 -25.89 66.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.598 0.759 . . . . 0.0 112.422 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -79.67 -39.6 30.99 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.645 0.778 . . . . 0.0 110.75 169.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.13 -20.82 60.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 172.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -71.61 -28.47 63.81 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.085 -1.01 . . . . 0.0 112.877 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.71 -13.63 31.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.103 1.361 . . . . 0.0 112.072 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.3 152.64 32.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.361 1.864 . . . . 0.0 112.908 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.529 1.531 . . . . 0.0 111.371 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.878 -0.106 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.64 141.01 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.373 1.469 . . . . 0.0 112.324 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -149.59 51.66 0.94 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.847 1.259 . . . . 0.0 112.331 -169.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -135.73 56.74 1.82 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.01 1.324 . . . . 0.0 112.484 -170.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 50.11 65.94 1.29 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.418 1.487 . . . . 0.0 112.9 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.52 123.88 27.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.525 0.73 . . . . 0.0 109.722 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -134.93 147.57 49.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.149 1.38 . . . . 0.0 110.803 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.24 -126.63 42.95 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.984 0.802 . . . . 0.0 112.615 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -54.06 -32.36 54.38 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.667 1.187 . . . . 0.0 113.256 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -71.31 -27.47 63.42 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.906 0.882 . . . . 0.0 112.742 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.95 -37.98 28.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.537 0.735 . . . . 0.0 111.557 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.8 -31.55 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.437 -0.79 . . . . 0.0 112.249 169.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.73 -37.13 85.35 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.557 -0.714 . . . . 0.0 111.297 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.98 70.16 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 111.701 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.74 -42.94 98.38 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.095 0.558 . . . . 0.0 111.179 172.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.48 -36.84 85.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.53 -30.59 71.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.874 0.87 . . . . 0.0 112.162 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.88 -42.01 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.0 1.32 . . . . 0.0 112.496 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -90.8 -29.81 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 -140.87 47.95 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.044 0.831 . . . . 0.0 113.533 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.75 -3.9 31.29 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -61.64 -33.24 73.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.504 1.121 . . . . 0.0 113.708 174.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 155.03 5.07 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.615 1.102 . . . . 0.0 113.255 -170.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -139.26 163.47 32.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.502 1.521 . . . . 0.0 112.211 -171.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -123.49 100.39 6.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.416 1.486 . . . . 0.0 109.138 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 121.451 0.643 . . . . 0.0 111.572 176.393 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.9 tt -72.58 -40.95 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -171.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.18 -29.2 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.237 -0.915 . . . . 0.0 112.068 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.07 -6.18 31.93 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.399 1.479 . . . . 0.0 113.378 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -108.85 -53.04 2.69 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.438 1.495 . . . . 0.0 110.243 169.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.43 -32.01 64.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -76.23 -39.27 54.98 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.66 0.664 . . . . 0.0 111.949 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 p -100.86 -32.2 10.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.998 1.319 . . . . 0.0 114.464 -170.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -131.62 7.25 4.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.09 1.356 . . . . 0.0 114.622 -169.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.13 151.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 127.616 2.366 . . . . 0.0 113.984 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.7 m -128.05 140.79 51.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.873 1.669 . . . . 0.0 112.299 171.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.9 p -91.95 162.87 14.22 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.835 1.254 . . . . 0.0 108.639 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.84 -25.88 63.66 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.84 -29.1 67.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.945 0.898 . . . . 0.0 112.445 174.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -75.95 -36.91 59.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.697 0.799 . . . . 0.0 111.396 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.46 -36.5 79.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.394 0.543 . . . . 0.0 112.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.34 -20.82 31.31 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -67.82 -18.15 64.75 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.507 ' CD1' HD12 ' A' ' 2' ' ' ILE . 67.4 m-85 -112.94 -4.29 13.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.153 1.381 . . . . 0.0 113.799 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.5 m -68.41 149.09 49.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.14 0.882 . . . . 0.0 112.551 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 172.184 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.283 0.087 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.7 125.65 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.617 1.567 . . . . 0.0 111.671 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.42 71.59 1.46 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.004 1.722 . . . . 0.0 109.29 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.16 72.59 1.37 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.463 1.505 . . . . 0.0 113.26 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 51.18 53.82 12.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.199 1.399 . . . . 0.0 113.537 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.454 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.2 mm? -68.52 118.11 11.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.959 -175.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -143.95 145.61 32.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.516 1.126 . . . . 0.0 111.124 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.73 -132.75 52.71 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 123.464 0.554 . . . . 0.0 111.932 -172.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -57.36 -25.17 59.02 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -70.26 -30.29 67.3 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.389 -0.82 . . . . 0.0 112.711 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.58 -43.07 66.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.139 0.576 . . . . 0.0 110.08 174.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.88 -43.26 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.527 1.131 . . . . 0.0 110.817 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.05 -43.61 98.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.019 1.328 . . . . 0.0 112.321 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.42 82.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.359 -0.838 . . . . 0.0 112.236 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.91 -45.15 90.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.428 0.558 . . . . 0.0 111.06 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -59.69 -38.85 82.69 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.034 0.834 . . . . 0.0 112.657 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.72 -38.05 88.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.817 1.247 . . . . 0.0 112.123 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.92 -42.57 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.107 0.963 . . . . 0.0 112.639 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.18 -13.05 60.01 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.2 52.74 45.03 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.292 0.949 . . . . 0.0 112.64 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.321 8.3 pt-20 55.54 12.69 0.82 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.647 2.379 . . . . 0.0 117.062 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -69.09 -18.07 63.94 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.751 1.22 . . . . 0.0 113.879 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.68 168.9 43.56 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.662 1.125 . . . . 0.0 113.101 -170.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -158.48 154.82 27.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.963 1.305 . . . . 0.0 111.721 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -77.77 -50.63 11.98 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 112.859 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.265 7.4 p90 . . . . . 0 N--CA 1.481 1.092 0 C-N-CA 128.675 2.79 . . . . 0.0 115.859 -175.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -59.4 -32.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.435 1.494 . . . . 0.0 114.144 -169.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -64.58 -30.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.293 -0.879 . . . . 0.0 112.069 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.11 6.99 6.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.407 1.483 . . . . 0.0 112.623 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -130.67 -38.99 1.28 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 112.961 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.55 -11.4 17.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -171.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.27 -43.61 4.75 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.772 1.229 . . . . 0.0 111.67 171.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.6 p -67.19 -39.27 86.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.761 0.824 . . . . 0.0 111.684 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -122.44 -156.56 0.7 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.605 2.362 . . . . 0.0 107.63 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -129.23 136.78 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.392 1.077 . . . . 0.0 109.62 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.57 150.52 37.88 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.883 1.273 . . . . 0.0 112.703 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -78.24 156.43 29.74 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.559 1.144 . . . . 0.0 112.427 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.46 -27.97 58.36 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.52 -27.57 68.56 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.0 0.92 . . . . 0.0 113.093 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.94 -16.21 51.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.748 1.619 . . . . 0.0 112.08 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.21 -36.18 35.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.255 1.022 . . . . 0.0 111.673 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.04 -28.18 62.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.98 0.912 . . . . 0.0 113.041 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.05 -26.1 59.78 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.991 1.316 . . . . 0.0 113.66 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -104.27 0.06 28.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 0.0 113.269 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -91.0 151.5 21.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.42 1.488 . . . . 0.0 112.659 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.915 1.286 . . . . 0.0 113.537 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 t80 . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.045 0.926 . . . . 0.0 112.967 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.81 65.23 0.92 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.034 1.334 . . . . 0.0 110.157 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -133.81 45.08 2.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.154 1.381 . . . . 0.0 113.117 -169.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 54.12 82.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.556 1.542 . . . . 0.0 111.471 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.03 110.22 14.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.0 0.92 . . . . 0.0 108.878 -173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.83 139.11 52.32 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.17 -120.68 19.01 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.098 0.856 . . . . 0.0 112.654 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -51.28 -36.99 44.91 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.938 1.295 . . . . 0.0 113.726 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -72.12 -35.69 69.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.072 0.851 . . . . 0.0 112.82 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.6 -46.72 71.79 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.798 0.839 . . . . 0.0 109.944 174.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.56 -42.35 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.777 1.231 . . . . 0.0 111.566 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.67 -41.65 97.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.638 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.26 84.87 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.68 -0.637 . . . . 0.0 112.666 175.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.8 96.07 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.898 -0.501 . . . . 0.0 110.635 175.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.44 -37.55 87.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.46 -29.58 69.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.993 0.917 . . . . 0.0 112.365 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -86.42 -42.54 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.988 1.315 . . . . 0.0 112.268 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.3 t -88.18 -32.29 18.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -155.31 53.41 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.32 0.962 . . . . 0.0 112.936 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.32 5.32 5.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -66.56 -25.63 66.73 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.953 1.301 . . . . 0.0 113.749 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.89 152.14 13.57 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.863 1.22 . . . . 0.0 113.754 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -150.69 168.93 22.87 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 112.932 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -102.59 152.91 20.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.689 1.596 . . . . 0.0 111.808 171.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 p90 . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.75 1.22 . . . . 0.0 110.778 169.462 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.419 HD12 ' CD1' ' A' ' 19' ' ' TYR . 8.7 tt -85.28 -31.56 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.57 -33.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.303 -0.873 . . . . 0.0 111.319 -173.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.26 -7.08 21.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.512 1.125 . . . . 0.0 114.014 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -121.41 -29.25 4.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.204 1.402 . . . . 0.0 113.6 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.0 m -106.8 -20.2 13.41 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -103.04 -43.89 5.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 111.602 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -77.26 -27.2 53.11 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.415 -0.803 . . . . 0.0 112.098 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -134.95 179.84 6.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.969 2.108 . . . . 0.0 110.284 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.98 141.74 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.311 1.044 . . . . 0.0 110.25 172.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -134.5 164.41 27.53 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.533 1.133 . . . . 0.0 113.694 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -105.26 154.98 19.51 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.653 1.981 . . . . 0.0 112.897 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.45 -27.03 55.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.64 -28.84 65.12 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.62 -0.675 . . . . 0.0 112.367 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -75.15 -24.61 57.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.784 1.234 . . . . 0.0 111.456 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.44 -35.37 46.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.326 0.65 . . . . 0.0 111.89 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.62 -20.21 65.49 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.1 -12.59 40.69 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.657 0.783 . . . . 0.0 112.946 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CD1' HD12 ' A' ' 2' ' ' ILE . 58.5 m-85 -112.32 2.41 16.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.171 1.788 . . . . 0.0 113.797 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -75.17 160.65 30.18 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.572 1.078 . . . . 0.0 111.477 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.385 0 C-N-CA 126.097 1.759 . . . . 0.0 111.011 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.0 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -121.2 140.22 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.072 1.349 . . . . 0.0 112.35 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -145.36 39.38 1.18 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.079 1.351 . . . . 0.0 112.231 -169.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -119.41 63.18 0.8 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.282 1.433 . . . . 0.0 111.434 -170.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 43.71 61.2 2.36 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.598 1.959 . . . . 0.0 113.544 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.9 mm? -70.05 123.99 22.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.79 1.236 . . . . 0.0 110.968 -174.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -130.39 143.13 50.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.434 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.44 -123.35 32.4 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.863 0.745 . . . . 0.0 112.766 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -53.02 -34.24 55.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.916 1.286 . . . . 0.0 113.071 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -73.86 -29.8 62.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 112.497 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' B' ' 26' ' ' TYR . 3.2 tm? -71.24 -49.92 38.29 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.222 0.609 . . . . 0.0 109.74 176.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -66.65 -29.25 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.64 -41.63 95.29 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.418 0.687 . . . . 0.0 111.093 169.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.25 66.67 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.568 -0.707 . . . . 0.0 111.977 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -45.2 92.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.548 0.739 . . . . 0.0 110.942 175.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.3 -37.3 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.372 1.069 . . . . 0.0 112.781 173.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.73 -31.38 72.53 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.687 0.795 . . . . 0.0 112.099 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.59 -45.51 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 112.32 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -81.25 -30.11 34.22 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.221 -0.924 . . . . 0.0 113.429 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.79 -120.98 25.12 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 119.178 0.899 . . . . 0.0 111.718 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.73 -3.2 40.01 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -77.21 40.51 0.27 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.634 1.574 . . . . 0.0 114.571 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.76 -68.38 0.04 OUTLIER Glycine 0 CA--C 1.541 1.705 0 C-N-CA 127.984 2.707 . . . . 0.0 116.783 169.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . 0.317 1.9 p90 60.89 159.77 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 131.154 3.782 . . . . 0.0 118.546 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -127.69 148.77 50.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.303 1.841 . . . . 0.0 112.071 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' B' ' 11' ' ' LEU . 38.8 t80 . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 126.197 1.799 . . . . 0.0 111.147 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tt -84.25 -28.99 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.8 140.92 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.865 0.866 . . . . 0.0 109.453 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 55.23 32.31 18.29 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -132.19 -52.67 0.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.993 1.317 . . . . 0.0 111.835 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.7 m -96.82 -4.36 40.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.332 1.053 . . . . 0.0 113.755 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.04 -50.4 4.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.819 1.647 . . . . 0.0 111.715 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 p -80.91 -21.88 40.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.099 1.36 . . . . 0.0 113.441 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -140.9 -174.26 3.94 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.918 2.087 . . . . 0.0 110.279 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.16 142.79 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.882 1.273 . . . . 0.0 111.742 -177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.82 -174.12 2.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.298 1.839 . . . . 0.0 112.845 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -138.12 153.02 49.28 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.915 1.686 . . . . 0.0 108.933 169.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -22.38 61.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.22 -28.17 67.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.142 0.977 . . . . 0.0 113.472 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -92.89 -2.91 55.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -84.74 -41.57 16.07 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 167.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.98 -26.48 48.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.445 171.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -53.66 -29.65 39.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.913 1.285 . . . . 0.0 113.245 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -102.15 -1.05 32.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.159 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -79.17 147.07 32.79 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.163 -0.961 . . . . 0.0 112.855 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.07 1.348 . . . . 0.0 112.083 172.303 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -64.53 112.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 122.078 0.942 . . . . 0.0 113.305 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.74 12.96 2.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.965 1.706 . . . . 0.0 113.257 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -77.12 77.76 3.65 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.685 1.994 . . . . 0.0 113.361 -170.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 53.26 46.53 26.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.032 1.333 . . . . 0.0 113.55 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.04 131.51 40.64 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.275 -0.891 . . . . 0.0 109.769 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.35 147.13 51.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.187 1.395 . . . . 0.0 111.052 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.38 -126.66 42.79 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 123.776 0.703 . . . . 0.0 112.628 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -53.53 -28.65 32.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.534 1.134 . . . . 0.0 113.87 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -75.84 -31.54 59.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.844 0.747 . . . . 0.0 112.432 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.74 -36.93 56.79 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.808 0.843 . . . . 0.0 110.466 176.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.18 -42.15 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.622 1.169 . . . . 0.0 110.257 168.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.76 -38.06 89.71 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.749 1.22 . . . . 0.0 113.043 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.46 87.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.561 1.073 . . . . 0.0 111.362 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.64 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.075 -0.391 . . . . 0.0 111.181 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -62.45 -38.85 91.39 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.097 0.959 . . . . 0.0 112.358 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 tp -67.44 -29.28 68.71 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.559 -0.713 . . . . 0.0 112.242 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.25 -45.3 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.471 1.108 . . . . 0.0 112.642 174.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 t -94.76 -23.65 17.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -168.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.8 -152.66 51.66 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 121.328 -0.858 . . . . 0.0 113.192 -171.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.17 1.05 19.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.86 1.429 . . . . 0.0 114.86 -171.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -74.55 -11.19 60.15 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.98 161.9 24.49 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.99 1.281 . . . . 0.0 113.649 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.83 156.6 36.5 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.149 0.98 . . . . 0.0 113.075 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -90.13 41.27 1.04 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 113.617 -169.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 171.846 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.33 -40.47 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -171.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.19 -33.0 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.325 -0.86 . . . . 0.0 111.656 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.8 -12.93 58.08 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.305 1.442 . . . . 0.0 112.946 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -109.68 -40.62 4.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.633 1.173 . . . . 0.0 113.438 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -95.87 -17.95 20.72 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -115.77 -41.7 3.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.302 1.041 . . . . 0.0 112.648 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -74.22 -24.97 59.41 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.408 -0.808 . . . . 0.0 111.452 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -134.14 -163.08 1.32 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.405 2.282 . . . . 0.0 108.617 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mt -115.11 137.6 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.888 1.275 . . . . 0.0 109.519 171.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -120.86 159.61 25.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.797 1.239 . . . . 0.0 113.543 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -94.81 155.19 16.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.863 1.665 . . . . 0.0 112.15 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.74 -28.92 37.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.197 1.399 . . . . 0.0 114.44 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -63.64 -28.73 70.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 112.814 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -78.97 -23.92 44.21 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.6 1.56 . . . . 0.0 111.724 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.81 -38.27 46.79 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.469 1.108 . . . . 0.0 111.881 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.29 -25.71 59.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.71 -20.26 63.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.515 1.126 . . . . 0.0 113.697 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.26 2.5 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.509 1.524 . . . . 0.0 113.095 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.55 140.03 30.13 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.762 1.625 . . . . 0.0 112.676 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 128.72 2.808 . . . . 0.0 115.226 171.612 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.74 139.43 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.744 1.618 . . . . 0.0 111.702 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -142.66 56.87 1.43 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.089 1.756 . . . . 0.0 111.276 -169.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -133.58 59.55 1.73 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.552 1.541 . . . . 0.0 113.04 -169.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 48.64 56.53 7.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.396 1.478 . . . . 0.0 113.549 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.403 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.9 mm? -66.83 121.21 14.97 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.095 -1.003 . . . . 0.0 109.665 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.59 144.56 37.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.897 1.279 . . . . 0.0 111.34 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.63 39.81 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.346 0.498 . . . . 0.0 112.591 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 p -51.69 -33.11 32.61 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.959 1.303 . . . . 0.0 113.9 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -75.1 -28.17 60.14 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.572 -0.705 . . . . 0.0 112.509 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.55 -34.61 46.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.389 0.676 . . . . 0.0 110.938 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.61 -43.94 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.178 0.991 . . . . 0.0 110.276 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.69 -40.94 98.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.197 0.999 . . . . 0.0 111.861 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.83 -37.4 81.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.992 0.815 . . . . 0.0 112.803 175.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -41.46 95.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.37 -0.831 . . . . 0.0 111.235 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.92 -36.57 84.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.07 -33.17 73.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.024 0.93 . . . . 0.0 112.2 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -90.4 -41.2 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.981 1.312 . . . . 0.0 113.085 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -98.55 -23.38 15.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.082 1.353 . . . . 0.0 114.622 -170.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.38 -142.24 47.88 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.317 -0.864 . . . . 0.0 113.183 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.04 0.5 15.79 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.58 -4.06 46.91 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -172.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 146.47 2.84 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.509 1.528 . . . . 0.0 113.883 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -147.01 159.01 44.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.986 0.915 . . . . 0.0 112.972 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -127.03 48.7 2.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.774 1.63 . . . . 0.0 111.771 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 124.122 0.969 . . . . 0.0 111.69 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 19' ' ' TYR . 9.7 tp -70.16 -27.62 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.06 -35.92 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.919 -1.113 . . . . 0.0 111.667 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.89 15.02 1.54 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.929 1.292 . . . . 0.0 112.972 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -133.47 -31.4 1.22 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.656 1.582 . . . . 0.0 113.122 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -113.07 -18.85 12.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.692 1.597 . . . . 0.0 114.809 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.0 t -100.08 -30.63 11.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.528 1.058 . . . . 0.0 112.334 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -79.16 -31.58 44.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.769 1.228 . . . . 0.0 112.886 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -150.98 173.77 13.91 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.294 2.238 . . . . 0.0 109.712 172.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -76.6 142.12 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.442 -0.786 . . . . 0.0 111.023 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -126.76 162.78 25.03 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.51 1.524 . . . . 0.0 112.568 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.1 p -107.6 155.78 19.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.369 1.867 . . . . 0.0 112.226 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.5 -29.82 38.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.122 1.369 . . . . 0.0 114.223 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -64.96 -25.6 67.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.141 0.976 . . . . 0.0 112.926 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -78.27 -19.12 54.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.141 1.376 . . . . 0.0 112.182 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.98 -27.68 28.27 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.965 0.906 . . . . 0.0 111.902 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.75 -26.45 67.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.537 0.735 . . . . 0.0 112.591 174.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.24 -24.12 66.13 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.083 1.353 . . . . 0.0 113.4 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE1' HD13 ' A' ' 2' ' ' ILE . 94.7 m-85 -103.97 -3.47 24.63 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.955 1.702 . . . . 0.0 113.305 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.39 150.4 25.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.622 1.569 . . . . 0.0 111.833 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.571 1.148 . . . . 0.0 112.774 173.01 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.849 -0.056 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.74 131.61 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.19 1.396 . . . . 0.0 112.511 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.4 49.63 1.99 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.215 1.406 . . . . 0.0 110.529 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -133.64 71.71 1.47 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.032 1.333 . . . . 0.0 113.416 -169.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 43.66 52.61 6.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.631 1.972 . . . . 0.0 113.799 170.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.47 131.94 51.8 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.183 1.393 . . . . 0.0 111.175 -172.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 141.59 27.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.238 0.615 . . . . 0.0 111.202 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.21 -125.13 35.11 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 123.817 0.723 . . . . 0.0 112.132 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -51.79 -35.8 45.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.878 1.271 . . . . 0.0 114.024 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -70.43 -30.74 67.67 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.5 tp -82.99 -42.78 17.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.462 0.705 . . . . 0.0 110.572 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.03 -40.38 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.336 1.054 . . . . 0.0 111.54 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -37.36 81.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.847 1.259 . . . . 0.0 112.536 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.29 -39.28 65.46 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.394 -0.816 . . . . 0.0 112.81 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.9 -42.01 98.58 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.67 -0.644 . . . . 0.0 110.886 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.98 -39.36 94.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -33.9 77.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.481 0.712 . . . . 0.0 112.465 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -85.74 -43.34 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.621 1.168 . . . . 0.0 112.585 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -91.58 -27.2 18.32 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.94 -139.49 48.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.413 1.006 . . . . 0.0 113.646 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.38 -3.29 26.38 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -67.69 -28.71 67.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.111 0.964 . . . . 0.0 113.167 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.94 6.24 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.087 1.327 . . . . 0.0 113.565 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -140.26 165.4 27.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.164 1.386 . . . . 0.0 112.55 -172.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -128.56 112.74 14.63 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.101 1.36 . . . . 0.0 110.422 -173.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 124.187 0.995 . . . . 0.0 113.601 -173.739 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 CA-C-O 121.218 0.343 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 19' ' ' TYR . 8.2 tp -69.51 -38.85 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.389 1.075 . . . . 0.0 113.29 -173.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.72 -31.63 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.322 -0.861 . . . . 0.0 112.005 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.36 -7.62 32.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.296 1.438 . . . . 0.0 113.078 173.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.83 -57.97 1.97 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.845 1.658 . . . . 0.0 110.388 170.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.67 55.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.3 -40.49 7.9 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.743 0.817 . . . . 0.0 111.95 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -68.01 -29.52 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.139 0.976 . . . . 0.0 112.266 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -133.52 -126.63 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.175 1.39 . . . . 0.0 109.743 169.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mt -139.92 142.72 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.133 1.773 . . . . 0.0 107.888 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.06 152.87 52.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.699 0.8 . . . . 0.0 112.803 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.7 p -100.21 169.03 9.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.153 1.781 . . . . 0.0 113.161 -174.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.84 -27.89 32.46 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -72.18 -28.24 63.09 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.817 0.847 . . . . 0.0 112.277 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -81.49 -25.31 36.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.59 1.156 . . . . 0.0 111.916 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -74.4 -39.97 62.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.874 0.761 . . . . 0.0 112.147 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.26 -18.22 60.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.03 -20.2 50.92 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.681 0.792 . . . . 0.0 112.708 170.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.477 ' CE1' HD13 ' A' ' 2' ' ' ILE . 95.4 m-85 -106.8 13.36 27.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.611 1.164 . . . . 0.0 113.513 -175.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.54 163.96 18.0 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 C-N-CA 124.935 1.294 . . . . 0.0 111.29 169.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.3 m -68.04 122.74 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.1 0.96 . . . . 0.0 113.295 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -137.25 66.4 1.46 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.12 1.768 . . . . 0.0 109.226 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -139.0 60.55 1.59 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.651 1.181 . . . . 0.0 113.017 -169.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 48.81 49.36 19.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.21 1.404 . . . . 0.0 113.823 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.8 122.54 15.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.338 1.055 . . . . 0.0 111.397 -170.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.79 142.9 38.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.139 0.976 . . . . 0.0 111.179 -176.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.39 -124.74 26.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.872 0.749 . . . . 0.0 112.351 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -53.93 -31.4 50.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.981 1.312 . . . . 0.0 113.769 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.72 -34.86 67.37 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 112.577 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.15 -44.37 65.67 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.4 -41.89 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.015 0.926 . . . . 0.0 111.718 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.62 -41.73 91.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.789 1.236 . . . . 0.0 111.699 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.37 -36.98 71.65 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -42.45 98.43 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.307 -0.87 . . . . 0.0 110.745 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.63 -33.5 75.09 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.23 -30.69 70.67 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.125 -0.984 . . . . 0.0 112.112 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.38 -44.5 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.607 1.163 . . . . 0.0 112.497 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.3 m -108.53 -18.03 13.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -169.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.36 -131.11 48.64 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.62 1.105 . . . . 0.0 113.772 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.85 -2.54 27.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -67.75 -28.05 67.3 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.445 1.021 . . . . 0.0 113.011 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.54 153.46 15.23 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.015 1.293 . . . . 0.0 113.764 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -154.28 170.13 22.02 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.325 1.45 . . . . 0.0 113.045 -172.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -115.95 153.73 31.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.315 1.846 . . . . 0.0 111.946 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 125.5 1.52 . . . . 0.0 110.581 169.436 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 19' ' ' TYR . 13.3 tt -76.05 -35.47 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -172.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.23 -29.36 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 120.91 -1.119 . . . . 0.0 111.744 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.67 5.07 5.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.482 1.913 . . . . 0.0 113.452 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -128.09 -43.64 1.48 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 112.234 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.31 -6.24 23.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -169.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.1 -37.93 5.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.743 1.217 . . . . 0.0 111.851 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 p -71.85 -30.7 65.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.72 172.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -138.19 -163.62 1.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.5 2.32 . . . . 0.0 109.242 171.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.33 141.81 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.971 1.309 . . . . 0.0 111.629 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.0 m -122.09 147.31 46.28 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.307 1.843 . . . . 0.0 112.675 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -90.07 164.24 14.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.072 1.349 . . . . 0.0 110.508 169.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.27 -26.31 60.63 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -68.76 -29.46 67.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.947 0.899 . . . . 0.0 112.563 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -77.22 -27.11 53.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.92 0.888 . . . . 0.0 111.878 171.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.55 -33.01 54.23 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.749 0.704 . . . . 0.0 112.321 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.86 -25.44 65.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -58.95 -22.81 60.78 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.295 1.038 . . . . 0.0 112.963 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 2' ' ' ILE . 88.1 m-85 -105.25 -3.84 22.38 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.764 1.625 . . . . 0.0 113.811 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.33 147.25 49.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.922 0.783 . . . . 0.0 111.276 169.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 125.825 1.65 . . . . 0.0 111.673 172.443 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.871 -0.109 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.85 136.89 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 0.0 111.736 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 65.46 0.91 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.493 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.24 -53.86 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -178.45 51.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.154 2.182 . . . . 0.0 110.527 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.28 120.04 18.35 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.486 -1.384 . . . . 0.0 111.514 -169.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.45 143.32 39.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 111.539 -175.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.41 -123.73 32.49 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.773 0.701 . . . . 0.0 112.399 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.44 -33.51 44.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.88 1.272 . . . . 0.0 113.294 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -76.99 -28.78 55.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.995 0.918 . . . . 0.0 112.477 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 11' ' ' LEU . 3.1 tm? -69.18 -50.79 44.37 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.526 0.73 . . . . 0.0 109.726 173.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.24 -30.18 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.48 -39.88 92.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.551 0.74 . . . . 0.0 111.617 169.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.69 -35.28 67.62 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.68 -0.637 . . . . 0.0 112.102 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.53 88.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.139 174.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -60.68 -40.1 90.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.354 1.062 . . . . 0.0 112.367 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.05 -29.27 70.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.743 0.817 . . . . 0.0 112.166 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.31 -45.93 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.599 1.16 . . . . 0.0 112.456 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.79 -20.35 46.39 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.385 0.993 . . . . 0.0 113.584 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.64 -117.5 11.17 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 112.436 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.62 -11.9 60.1 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -86.42 150.23 24.45 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.655 1.182 . . . . 0.0 112.025 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.3 173.4 46.14 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.207 0.908 . . . . 0.0 113.74 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -151.46 165.01 35.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.908 1.283 . . . . 0.0 112.17 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -115.41 148.29 39.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.787 1.235 . . . . 0.0 112.42 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.548 0.897 0 C-N-CA 126.61 1.964 . . . . 0.0 110.917 -175.448 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.3 tt -79.15 -31.74 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.325 1.05 . . . . 0.0 113.302 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.81 -33.75 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.337 -0.852 . . . . 0.0 111.409 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.78 8.48 2.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.319 1.848 . . . . 0.0 113.737 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -128.16 -48.79 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.509 1.524 . . . . 0.0 111.793 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.5 m -92.96 -20.14 20.91 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -171.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -106.77 -37.22 6.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.39 1.076 . . . . 0.0 112.046 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -78.81 -23.29 45.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.673 0.789 . . . . 0.0 112.853 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 t -139.3 -158.9 0.9 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.53 2.332 . . . . 0.0 108.704 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.81 137.5 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.088 1.355 . . . . 0.0 109.855 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.4 165.37 16.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.244 1.417 . . . . 0.0 112.984 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -106.22 152.9 22.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.07 1.748 . . . . 0.0 112.609 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -26.62 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.683 1.193 . . . . 0.0 114.131 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.39 -26.36 66.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.855 0.862 . . . . 0.0 112.793 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -75.05 -35.91 61.85 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.469 1.108 . . . . 0.0 111.109 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.99 -32.23 73.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.296 0.639 . . . . 0.0 112.274 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.91 -22.87 62.97 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.14 -21.57 64.91 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.307 -0.871 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -100.76 -7.04 24.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.198 1.799 . . . . 0.0 113.243 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -77.22 146.11 37.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.577 1.151 . . . . 0.0 110.792 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.768 1.227 . . . . 0.0 114.185 -175.87 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.054 -0.022 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 m -121.07 135.35 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.456 1.502 . . . . 0.0 112.372 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -140.38 56.23 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.878 1.671 . . . . 0.0 111.149 -168.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -129.92 59.93 1.61 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.318 1.447 . . . . 0.0 111.182 -170.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.4 p80 42.73 60.4 2.45 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.549 1.94 . . . . 0.0 113.165 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.47 128.27 35.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.762 1.625 . . . . 0.0 111.369 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -135.65 146.33 47.72 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.078 0.951 . . . . 0.0 110.866 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.6 -123.98 30.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.736 0.684 . . . . 0.0 112.648 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -50.16 -36.77 31.6 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.556 1.543 . . . . 0.0 113.545 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -71.5 -31.64 67.33 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.774 0.83 . . . . 0.0 112.964 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.96 -39.45 34.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.063 0.945 . . . . 0.0 110.741 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.86 -31.65 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.97 -37.14 81.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.945 0.898 . . . . 0.0 111.887 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.18 -32.87 61.36 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.603 -0.686 . . . . 0.0 112.387 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -40.55 96.59 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.591 -0.693 . . . . 0.0 111.168 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -64.49 -36.4 84.07 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.136 0.974 . . . . 0.0 112.639 172.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.36 -34.4 78.24 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.156 -0.965 . . . . 0.0 112.496 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.15 -44.88 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.869 1.268 . . . . 0.0 112.703 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.0 t -90.8 -12.68 35.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.01 1.324 . . . . 0.0 113.846 -174.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.91 -148.46 48.0 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.301 0.953 . . . . 0.0 112.637 -173.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.54 -1.22 15.12 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -77.76 149.76 34.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.115 1.366 . . . . 0.0 112.178 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.55 73.71 1.37 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.116 1.341 . . . . 0.0 115.024 -172.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -61.33 162.0 8.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.28 1.032 . . . . 0.0 112.231 169.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -111.22 150.74 29.13 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.42 1.088 . . . . 0.0 112.278 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 125.249 1.42 . . . . 0.0 110.781 -175.923 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -75.54 -33.36 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -169.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.29 -28.54 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.75 -1.219 . . . . 0.0 111.798 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -73.09 11.57 0.69 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.099 1.76 . . . . 0.0 113.935 169.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -129.11 -46.04 1.24 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.964 1.706 . . . . 0.0 110.909 169.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -81.78 -23.33 36.64 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -111.02 -39.39 4.8 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.525 1.057 . . . . 0.0 113.305 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -72.33 -24.09 61.25 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.839 0.856 . . . . 0.0 112.494 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -133.95 -154.95 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.644 2.378 . . . . 0.0 108.566 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.97 134.2 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.872 1.269 . . . . 0.0 109.628 172.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.7 164.44 13.03 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.021 1.328 . . . . 0.0 112.965 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -113.9 153.2 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.934 1.694 . . . . 0.0 112.234 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -28.6 63.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.529 1.132 . . . . 0.0 113.929 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -68.04 -25.64 65.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.603 0.761 . . . . 0.0 112.727 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -80.89 -36.72 30.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.042 1.337 . . . . 0.0 111.072 170.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.82 -33.73 75.83 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.646 0.657 . . . . 0.0 112.365 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.58 -16.73 41.01 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 173.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -69.6 -21.41 63.59 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.449 1.022 . . . . 0.0 112.765 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -105.09 -11.77 16.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.339 1.456 . . . . 0.0 113.407 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.15 147.95 51.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.62 0.768 . . . . 0.0 112.294 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.432 1.493 . . . . 0.0 112.582 177.119 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.785 -0.15 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.77 135.39 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.791 1.637 . . . . 0.0 111.416 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -135.52 56.77 1.82 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.677 1.991 . . . . 0.0 111.285 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -126.81 64.58 1.28 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.306 1.443 . . . . 0.0 111.995 -169.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 p80 42.82 55.6 4.28 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.58 1.952 . . . . 0.0 113.242 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.54 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.8 mm? -60.07 118.65 6.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.865 1.666 . . . . 0.0 112.0 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.89 143.43 42.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.132 1.373 . . . . 0.0 111.277 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.09 -126.29 38.3 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.824 0.726 . . . . 0.0 112.483 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.37 -27.51 47.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.495 1.118 . . . . 0.0 113.672 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -75.81 -29.08 58.57 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.107 0.867 . . . . 0.0 112.587 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.16 -43.38 61.61 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.662 0.785 . . . . 0.0 109.986 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.29 -43.1 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 110.706 172.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.14 -41.6 97.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.656 1.182 . . . . 0.0 112.351 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -41.29 77.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 112.623 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.53 -40.66 96.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.49 -0.756 . . . . 0.0 111.437 173.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.66 -37.12 86.12 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.46 1.027 . . . . 0.0 112.867 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.39 -33.69 76.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.086 0.955 . . . . 0.0 112.259 177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -87.47 -44.75 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.243 1.017 . . . . 0.0 112.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -88.43 -19.62 26.31 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -173.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.97 -146.17 49.07 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.689 1.138 . . . . 0.0 114.172 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -57.61 -26.47 61.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.48 1.512 . . . . 0.0 114.472 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.08 -20.51 62.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.551 1.14 . . . . 0.0 113.408 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.85 -175.18 54.58 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.685 1.136 . . . . 0.0 114.351 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -157.82 163.36 38.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.061 1.344 . . . . 0.0 112.746 -170.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -90.01 145.1 25.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.391 1.476 . . . . 0.0 111.222 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 t80 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 125.194 1.397 . . . . 0.0 109.941 171.366 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.97 -39.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.67 -30.68 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.532 -0.73 . . . . 0.0 112.449 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.74 -14.83 63.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.668 1.187 . . . . 0.0 113.156 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -102.39 -54.47 2.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.109 1.363 . . . . 0.0 111.786 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.1 -28.32 39.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -168.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.98 -30.72 28.0 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.75 0.705 . . . . 0.0 111.698 173.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 m -87.54 -41.6 13.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.762 1.225 . . . . 0.0 113.406 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -130.25 3.56 4.74 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt 67.71 148.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.054 2.142 . . . . 0.0 113.349 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -132.63 141.04 48.46 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.651 1.58 . . . . 0.0 113.241 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.1 p -86.81 165.09 16.26 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.242 1.417 . . . . 0.0 109.843 168.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.9 -28.53 37.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -70.41 -29.97 66.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.795 0.838 . . . . 0.0 112.545 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -74.72 -36.11 62.68 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.273 0.629 . . . . 0.0 111.164 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.66 -36.92 79.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.43 0.692 . . . . 0.0 111.843 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.72 -18.28 53.43 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.54 -16.68 63.92 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.248 -0.907 . . . . 0.0 113.208 175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -115.38 3.3 14.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.521 1.529 . . . . 0.0 114.301 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.6 m -74.5 149.25 40.36 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.151 -0.968 . . . . 0.0 112.688 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.263 0.7 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.743 2.417 . . . . 0.0 115.245 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 p90 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.8 163.07 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.556 . . . . 0.0 111.639 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -111.05 58.87 0.61 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.198 1.399 . . . . 0.0 109.347 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -122.58 47.38 1.95 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.66 1.584 . . . . 0.0 114.109 -169.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 p80 44.87 52.0 8.27 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.082 1.753 . . . . 0.0 114.295 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.478 HD22 ' H ' ' B' ' 6' ' ' LEU . 2.1 mm? -65.16 135.94 56.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.904 1.282 . . . . 0.0 110.508 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.51 140.54 33.5 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.66 1.184 . . . . 0.0 111.593 -173.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.98 -121.29 18.2 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.866 0.746 . . . . 0.0 112.853 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -51.63 -37.07 48.51 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.355 1.462 . . . . 0.0 113.306 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -73.73 -29.56 62.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.572 0.749 . . . . 0.0 112.585 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.94 -43.84 42.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.425 0.69 . . . . 0.0 110.788 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 m -68.06 -31.82 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.65 -39.21 90.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.409 0.683 . . . . 0.0 111.758 171.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 -38.21 63.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.16 0.584 . . . . 0.0 111.844 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 tp -65.25 -43.3 91.81 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.694 1.198 . . . . 0.0 111.012 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.27 -39.74 93.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.812 0.845 . . . . 0.0 112.368 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.62 -28.3 66.78 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.663 -0.648 . . . . 0.0 112.375 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -84.24 -44.47 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.164 0.985 . . . . 0.0 112.165 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.03 -23.65 38.46 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.65 -148.65 47.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.106 1.336 . . . . 0.0 114.249 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.42 -7.13 17.38 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -80.12 -8.85 59.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.011 1.324 . . . . 0.0 113.578 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.58 175.34 40.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.095 1.331 . . . . 0.0 114.589 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -153.27 163.52 39.76 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.833 1.253 . . . . 0.0 112.823 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -108.14 150.49 27.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.739 1.616 . . . . 0.0 110.689 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 t80 . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 0.0 110.789 177.227 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.589 HD13 ' CE1' ' A' ' 19' ' ' TYR . 8.3 tp -70.71 -33.47 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.08 0.952 . . . . 0.0 112.955 -174.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.88 -30.74 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.949 -1.094 . . . . 0.0 112.167 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.71 7.65 3.65 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.909 1.684 . . . . 0.0 113.01 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -128.39 -43.08 1.46 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.026 1.73 . . . . 0.0 112.638 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.68 -12.98 18.72 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -108.43 -38.91 5.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.103 0.961 . . . . 0.0 112.163 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 p -73.85 -29.56 62.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.788 . . . . 0.0 112.428 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -143.46 -177.43 5.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.759 2.424 . . . . 0.0 110.512 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.0 mm -86.38 140.57 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.69 0.796 . . . . 0.0 109.204 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.04 -157.73 0.75 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.952 1.301 . . . . 0.0 113.04 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 t -142.83 150.59 40.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.736 1.615 . . . . 0.0 111.67 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -57.74 -27.58 63.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.723 1.209 . . . . 0.0 113.73 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -73.72 -27.29 61.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.392 -0.818 . . . . 0.0 112.43 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -79.69 -19.47 48.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.013 0.925 . . . . 0.0 111.942 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.47 -41.87 45.65 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.1 0.864 . . . . 0.0 110.502 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.04 -19.65 63.11 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.508 -1.37 . . . . 0.0 114.042 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -56.58 -24.8 49.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.013 0.925 . . . . 0.0 113.408 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.589 ' CE1' HD13 ' A' ' 2' ' ' ILE . 84.9 m-85 -102.25 -3.03 27.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.276 1.43 . . . . 0.0 113.436 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 t -91.12 150.71 21.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.743 1.617 . . . . 0.0 111.98 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t30 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.694 1.998 . . . . 0.0 112.846 178.146 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.885 -0.043 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -75.89 117.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.02 0.928 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -136.04 11.56 3.34 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.947 1.299 . . . . 0.0 113.194 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -79.36 76.02 5.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.551 1.94 . . . . 0.0 113.507 -170.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 54.32 37.51 27.61 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.026 1.33 . . . . 0.0 114.305 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.49 133.25 50.86 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.32 -0.862 . . . . 0.0 108.964 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.4 147.03 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.285 1.034 . . . . 0.0 111.55 -173.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 -127.6 45.3 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.418 0.532 . . . . 0.0 112.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -52.18 -33.36 40.33 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.637 1.175 . . . . 0.0 113.513 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -71.91 -31.89 66.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.371 0.669 . . . . 0.0 112.765 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.93 -39.75 41.81 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.964 0.506 . . . . 0.0 110.787 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.67 -40.84 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.781 0.832 . . . . 0.0 110.877 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -64.18 -40.76 96.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.726 1.21 . . . . 0.0 112.927 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -38.94 77.99 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.454 1.025 . . . . 0.0 111.971 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.96 -39.57 87.28 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 110.995 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -64.24 -42.07 96.69 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.179 0.992 . . . . 0.0 112.452 169.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -30.32 69.33 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.904 0.775 . . . . 0.0 112.158 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -78.39 -46.84 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.28 1.032 . . . . 0.0 111.997 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.59 -33.79 47.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -171.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.54 -143.44 48.07 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.606 1.098 . . . . 0.0 112.972 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -74.67 -0.11 16.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.58 -33.91 77.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.384 1.074 . . . . 0.0 112.982 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 144.94 6.81 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.611 1.577 . . . . 0.0 114.132 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.77 163.82 31.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.004 1.322 . . . . 0.0 113.42 -171.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -100.04 147.32 25.75 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.474 1.51 . . . . 0.0 111.74 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.37 145.68 37.44 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.762 1.225 . . . . 0.0 111.124 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -150.49 152.69 34.6 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.361 1.064 . . . . 0.0 112.276 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -140.35 134.3 15.34 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 126.692 1.997 . . . . 0.0 110.496 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.34 146.72 96.01 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.492 2.794 . . . . 0.0 113.581 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.877 1.671 . . . . 0.0 110.841 178.72 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -66.4 -28.2 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -169.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.55 -31.61 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.422 -0.799 . . . . 0.0 111.733 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.47 8.42 5.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.547 1.539 . . . . 0.0 112.917 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.3 -52.48 1.5 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.808 1.643 . . . . 0.0 112.54 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.97 -17.18 21.21 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -170.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -100.4 -42.94 6.41 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.945 0.898 . . . . 0.0 111.617 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -76.46 -24.31 53.88 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.325 -0.859 . . . . 0.0 113.072 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -146.61 -167.65 2.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.12 2.168 . . . . 0.0 110.027 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.97 142.7 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.356 1.062 . . . . 0.0 110.5 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.97 161.78 32.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.081 1.352 . . . . 0.0 111.855 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 p -101.16 163.78 12.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.006 1.322 . . . . 0.0 112.277 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -53.67 -26.12 21.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.704 1.201 . . . . 0.0 114.001 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -73.96 -30.74 62.68 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.082 0.855 . . . . 0.0 111.663 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -73.62 -26.22 60.68 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.544 0.737 . . . . 0.0 111.775 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.05 -44.23 48.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.677 0.791 . . . . 0.0 111.46 172.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.42 -18.9 64.21 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.56 -19.01 45.47 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.899 0.88 . . . . 0.0 113.011 172.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -109.15 10.51 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -107.96 153.53 22.94 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.303 2.241 . . . . 0.0 113.653 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.708 0.289 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.68 148.05 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.491 1.516 . . . . 0.0 111.833 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -141.09 54.01 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.753 2.021 . . . . 0.0 111.359 -170.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -145.75 62.39 1.26 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.75 1.22 . . . . 0.0 113.898 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 52.0 59.75 4.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.372 1.469 . . . . 0.0 113.702 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.41 131.18 35.27 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.39 1.076 . . . . 0.0 109.452 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 m -136.36 145.87 45.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.486 1.115 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.02 -128.23 47.03 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.328 0.49 . . . . 0.0 112.569 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m -53.79 -30.01 42.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.599 1.16 . . . . 0.0 113.655 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -72.05 -32.65 67.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.786 0.835 . . . . 0.0 112.646 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.76 -33.26 40.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.071 0.948 . . . . 0.0 111.082 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.18 -42.75 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.069 0.948 . . . . 0.0 110.507 169.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -59.97 -44.23 94.59 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.202 1.001 . . . . 0.0 111.828 172.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.14 93.44 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.702 -0.624 . . . . 0.0 112.017 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -46.23 82.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.044 -0.41 . . . . 0.0 111.392 175.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.75 -39.05 83.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.06 0.544 . . . . 0.0 112.287 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 tp -69.46 -29.94 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -85.38 -42.62 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.45 1.1 . . . . 0.0 112.666 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -84.48 -36.91 21.94 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 -138.98 46.79 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.97 0.795 . . . . 0.0 112.91 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.75 -2.3 19.85 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.5 -23.25 64.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.33 1.052 . . . . 0.0 113.614 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.77 144.81 1.77 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.555 1.55 . . . . 0.0 113.798 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.23 160.89 38.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -171.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -123.22 74.07 1.21 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.541 1.936 . . . . 0.0 111.633 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -61.26 148.62 40.45 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.663 1.185 . . . . 0.0 112.386 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -137.91 137.45 38.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.806 1.242 . . . . 0.0 113.6 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -149.2 142.34 15.91 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 126.478 1.911 . . . . 0.0 110.049 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -58.87 154.27 45.27 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.371 2.714 . . . . 0.0 114.079 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.152 1.781 . . . . 0.0 113.278 -178.395 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.404 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.0 tt -88.36 -42.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -172.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.01 -31.93 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 121.17 -0.956 . . . . 0.0 112.465 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.81 -9.85 23.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 114.045 171.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -104.4 -54.39 2.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.241 1.416 . . . . 0.0 111.164 171.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.9 -9.52 58.66 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -169.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -101.59 -42.82 6.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.174 0.99 . . . . 0.0 111.144 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.48 -34.57 77.42 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 121.199 -0.938 . . . . 0.0 112.286 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -135.38 -158.33 0.87 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.172 2.189 . . . . 0.0 109.864 173.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.42 147.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.861 1.265 . . . . 0.0 111.509 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -122.8 146.43 47.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.375 1.47 . . . . 0.0 112.923 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -89.66 153.86 20.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.257 1.823 . . . . 0.0 111.325 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.16 -28.8 63.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.17 -27.85 66.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.292 0.637 . . . . 0.0 112.675 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.9 -25.47 43.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.905 1.282 . . . . 0.0 111.873 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.57 -38.77 54.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.456 0.703 . . . . 0.0 111.812 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -59.1 -22.97 61.67 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -60.8 -17.34 48.89 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.832 0.853 . . . . 0.0 113.111 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' HD12 ' A' ' 2' ' ' ILE . 66.2 m-85 -101.55 5.16 41.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.689 1.196 . . . . 0.0 113.341 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.98 156.61 19.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.586 1.554 . . . . 0.0 112.463 169.858 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.864 -0.112 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -119.72 140.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.078 1.351 . . . . 0.0 111.754 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -146.31 44.32 1.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.442 1.097 . . . . 0.0 113.379 -168.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -129.42 71.78 1.45 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.161 0.984 . . . . 0.0 112.716 -170.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 48.76 53.91 11.58 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.261 1.424 . . . . 0.0 113.446 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.468 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.8 mm? -66.07 121.76 15.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.281 1.032 . . . . 0.0 110.656 -173.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 141.47 45.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.89 1.276 . . . . 0.0 111.347 -172.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.26 -124.36 32.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.699 0.666 . . . . 0.0 112.725 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -29.17 57.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.237 1.015 . . . . 0.0 113.704 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -75.79 -30.21 58.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.202 0.91 . . . . 0.0 112.335 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.53 -47.15 61.78 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.593 0.757 . . . . 0.0 109.488 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.59 -42.34 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.31 1.044 . . . . 0.0 111.044 173.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.15 -41.01 97.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.353 1.061 . . . . 0.0 112.484 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.67 77.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.486 1.039 . . . . 0.0 112.319 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -45.12 93.9 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.346 -0.846 . . . . 0.0 111.402 175.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -64.94 -35.8 82.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.145 0.978 . . . . 0.0 112.545 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -66.16 -31.99 73.17 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.237 -0.914 . . . . 0.0 111.767 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.58 -43.57 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.564 1.146 . . . . 0.0 112.68 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.27 -14.6 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 -119.2 17.05 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.578 1.081 . . . . 0.0 113.438 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.34 -12.04 60.42 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -72.6 129.66 38.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.865 0.866 . . . . 0.0 109.992 172.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.16 151.84 49.6 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.362 0.506 . . . . 0.0 111.975 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -138.74 152.5 48.02 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.097 0.959 . . . . 0.0 113.353 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -107.49 59.31 0.62 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.568 1.947 . . . . 0.0 112.522 -169.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.73 127.95 34.16 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.673 1.189 . . . . 0.0 112.231 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.5 p -86.64 78.07 9.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.024 1.33 . . . . 0.0 110.687 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -63.88 160.56 45.24 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.46 153.5 54.0 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.649 2.899 . . . . 0.0 113.404 169.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.099 1.759 . . . . 0.0 112.504 -179.397 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 19' ' ' TYR . 14.1 tt -84.18 -36.96 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.69 -36.16 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.053 -1.029 . . . . 0.0 111.974 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 7.6 2.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.295 1.438 . . . . 0.0 114.138 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -127.67 -15.02 5.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.083 1.753 . . . . 0.0 113.987 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -118.57 -22.37 7.55 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.18 -34.37 9.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.466 1.106 . . . . 0.0 112.432 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 -34.68 67.89 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.959 1.303 . . . . 0.0 112.385 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -149.48 160.07 43.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.785 2.434 . . . . 0.0 109.441 171.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 mt -74.38 138.8 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.497 -0.752 . . . . 0.0 111.331 -172.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.17 163.07 17.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.448 . . . . 0.0 113.735 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 t -105.22 156.59 17.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.137 1.775 . . . . 0.0 112.371 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -55.95 -28.64 57.88 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.395 1.478 . . . . 0.0 114.228 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -65.67 -27.25 68.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.485 0.714 . . . . 0.0 112.446 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -81.33 -19.99 41.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.475 . . . . 0.0 112.13 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.5 -34.61 27.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.917 0.887 . . . . 0.0 111.809 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.53 -22.97 57.12 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -59.83 -26.53 65.87 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.521 1.128 . . . . 0.0 113.367 171.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 2' ' ' ILE . 93.5 m-85 -105.31 -9.49 17.6 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.399 1.48 . . . . 0.0 114.006 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -68.73 141.64 55.2 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.157 0.889 . . . . 0.0 111.844 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.431 1.492 . . . . 0.0 112.22 170.338 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.333 0.111 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 m -78.7 118.42 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.38 0.672 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.97 71.61 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.848 1.659 . . . . 0.0 109.781 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -134.91 66.29 1.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.802 1.641 . . . . 0.0 111.496 -173.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 p80 43.05 55.86 4.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.283 1.833 . . . . 0.0 113.87 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.592 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.6 mm? -60.88 124.89 21.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.336 1.454 . . . . 0.0 111.283 -169.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.47 142.42 31.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.734 1.214 . . . . 0.0 110.838 -176.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -123.91 32.14 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.79 0.709 . . . . 0.0 112.701 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.5 p -51.15 -36.06 38.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.925 1.29 . . . . 0.0 113.769 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -73.42 -29.19 62.42 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.739 0.816 . . . . 0.0 112.854 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.99 -47.84 49.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.581 0.752 . . . . 0.0 109.781 173.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.39 -40.84 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.052 0.941 . . . . 0.0 111.24 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.52 -41.53 96.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.139 0.976 . . . . 0.0 112.284 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.57 76.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.974 . . . . 0.0 112.305 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.69 -43.01 94.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.593 -0.692 . . . . 0.0 110.928 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -61.27 -37.34 82.77 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.39 0.995 . . . . 0.0 112.678 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.13 -32.85 74.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.926 0.89 . . . . 0.0 112.01 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.64 -43.95 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.648 1.179 . . . . 0.0 112.694 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 m -84.11 -18.07 38.08 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.37 -126.19 32.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.497 1.046 . . . . 0.0 112.779 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.25 -10.03 59.33 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -91.26 148.22 22.5 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.762 1.225 . . . . 0.0 111.612 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 177.16 33.68 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.226 0.917 . . . . 0.0 114.023 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -157.15 159.93 38.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.392 1.077 . . . . 0.0 113.149 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -89.4 142.92 27.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.74 0.816 . . . . 0.0 111.902 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -146.1 153.69 40.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.824 1.65 . . . . 0.0 110.554 172.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 t -141.18 142.38 34.02 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.695 1.198 . . . . 0.0 111.572 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -101.6 149.75 36.68 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 126.504 1.922 . . . . 0.0 111.689 -170.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -64.82 -30.03 58.69 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.5 2.133 . . . . 0.0 114.507 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.256 1.822 . . . . 0.0 113.172 178.908 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.1 tt -67.5 -35.92 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.273 1.029 . . . . 0.0 113.301 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.41 -34.43 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.343 1.057 . . . . 0.0 110.973 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -81.33 19.38 0.97 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.762 1.625 . . . . 0.0 113.107 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -128.45 -45.17 1.36 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.095 1.358 . . . . 0.0 113.415 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.51 -15.89 14.34 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -98.12 -27.45 14.19 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.864 0.756 . . . . 0.0 111.704 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p -88.39 -31.08 19.04 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.127 0.971 . . . . 0.0 113.266 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -142.06 -174.82 4.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.924 2.49 . . . . 0.0 110.304 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.4 mm -92.95 124.71 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.099 -1.001 . . . . 0.0 109.216 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -92.96 176.26 6.49 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -176.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -130.05 149.42 51.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.996 1.718 . . . . 0.0 110.25 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.89 -26.27 61.92 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.69 -27.04 65.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.706 0.802 . . . . 0.0 112.767 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.36 -33.48 42.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.404 1.082 . . . . 0.0 111.249 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.22 -32.38 70.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.403 0.681 . . . . 0.0 112.835 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.49 -15.4 49.84 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -57.52 -36.14 71.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.2 1.0 . . . . 0.0 112.095 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -96.39 -7.7 34.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.471 1.108 . . . . 0.0 113.663 -169.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -68.67 148.86 49.81 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.138 0.881 . . . . 0.0 112.919 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.252 1.421 . . . . 0.0 112.433 176.186 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.58 144.07 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.864 1.666 . . . . 0.0 110.705 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -145.96 13.76 1.31 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.949 1.7 . . . . 0.0 114.745 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -74.76 90.5 2.34 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.772 1.229 . . . . 0.0 112.093 -169.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.7 p80 47.43 47.69 16.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.624 1.97 . . . . 0.0 113.592 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.87 127.73 33.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 111.025 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -138.64 145.94 41.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.835 0.854 . . . . 0.0 110.567 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -127.74 43.06 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.771 0.7 . . . . 0.0 112.456 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -53.42 -30.59 41.04 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -71.3 -33.05 69.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.057 0.844 . . . . 0.0 112.945 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.69 -37.17 36.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.51 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.32 -39.99 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.217 1.007 . . . . 0.0 110.977 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.09 -37.21 86.61 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.79 1.236 . . . . 0.0 112.494 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.78 72.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.341 -0.849 . . . . 0.0 112.088 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 15' ' ' LEU . 7.2 tp -68.37 -38.51 81.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.64 -0.662 . . . . 0.0 111.691 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -63.95 -37.85 88.92 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.669 -0.645 . . . . 0.0 112.343 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.96 -35.67 81.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.327 -0.858 . . . . 0.0 112.354 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.93 -44.24 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.407 1.083 . . . . 0.0 112.612 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.1 m -89.37 -18.68 26.39 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -174.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.57 -154.25 45.76 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.64 1.114 . . . . 0.0 114.813 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.73 16.61 0.27 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.74 1.616 . . . . 0.0 114.434 -175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -101.77 -15.39 16.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.908 1.683 . . . . 0.0 112.96 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.5 -173.73 55.2 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.526 1.06 . . . . 0.0 115.029 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -154.44 165.43 36.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.736 1.614 . . . . 0.0 112.242 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.29 89.85 3.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.084 1.754 . . . . 0.0 109.544 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.72 134.51 56.41 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.541 -0.724 . . . . 0.0 111.164 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.26 32.1 p 49.77 35.13 8.51 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 160.92 81.17 Favored Pre-proline 0 N--CA 1.481 1.108 0 C-N-CA 123.7 0.8 . . . . 0.0 112.783 173.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.74 137.64 82.04 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.273 2.649 . . . . 0.0 113.342 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.94 1.696 . . . . 0.0 110.605 -179.571 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.52 -34.07 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.03 -34.75 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.273 -0.892 . . . . 0.0 111.874 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.69 -7.05 41.76 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.924 1.29 . . . . 0.0 113.214 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -125.73 -24.18 3.88 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.5 m -112.61 -14.19 13.21 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -112.72 -43.57 3.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.727 1.211 . . . . 0.0 111.774 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -75.23 -23.66 57.59 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.013 0.824 . . . . 0.0 111.622 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -137.3 174.64 10.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.914 2.085 . . . . 0.0 110.068 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -90.89 142.18 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.924 0.89 . . . . 0.0 109.952 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 p -135.18 161.21 36.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.264 1.026 . . . . 0.0 113.194 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -94.62 163.27 13.45 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.076 1.351 . . . . 0.0 113.725 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.9 -27.73 63.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.69 1.196 . . . . 0.0 113.802 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.15 -27.88 61.05 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.18 -0.95 . . . . 0.0 112.046 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -75.4 -25.13 57.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.465 1.106 . . . . 0.0 111.673 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.56 -35.44 60.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.039 0.836 . . . . 0.0 111.896 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.56 -21.29 65.47 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -58.76 -22.51 58.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.922 0.889 . . . . 0.0 112.595 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.95 0.8 24.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.003 1.721 . . . . 0.0 113.825 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.37 158.37 35.22 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.352 0.978 . . . . 0.0 112.242 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.401 2.28 . . . . 0.0 112.784 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.029 -0.034 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.95 139.56 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.349 1.46 . . . . 0.0 112.363 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -141.22 46.9 1.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.781 1.633 . . . . 0.0 111.666 -169.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -131.25 60.04 1.67 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.795 1.638 . . . . 0.0 112.099 -170.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.0 p80 46.65 52.39 11.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.698 1.999 . . . . 0.0 114.397 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.481 HD22 ' H ' ' B' ' 6' ' ' LEU . 2.0 mm? -62.34 131.37 49.06 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.643 1.177 . . . . 0.0 109.396 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.59 146.48 41.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.255 1.022 . . . . 0.0 111.616 -173.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.51 -126.59 41.62 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.532 0.587 . . . . 0.0 112.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.26 -32.01 35.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.622 1.169 . . . . 0.0 113.729 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -73.49 -32.21 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.819 0.736 . . . . 0.0 112.778 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.28 -35.31 55.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.234 0.614 . . . . 0.0 110.953 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.98 -42.2 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.579 1.152 . . . . 0.0 110.865 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.6 -40.8 97.85 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.365 1.066 . . . . 0.0 112.28 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.83 84.07 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.39 85.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.582 0.753 . . . . 0.0 111.387 173.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.26 -38.53 89.65 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.434 0.694 . . . . 0.0 112.345 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.18 -33.06 74.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.348 1.059 . . . . 0.0 112.178 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -86.21 -46.1 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.541 1.136 . . . . 0.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -81.62 -35.38 30.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 -132.02 52.34 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.781 0.705 . . . . 0.0 112.491 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -5.79 25.57 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.67 -19.73 63.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.057 0.943 . . . . 0.0 113.341 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.89 175.53 15.51 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.359 0.981 . . . . 0.0 113.117 -171.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -161.1 170.07 21.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.239 1.016 . . . . 0.0 113.228 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.51 155.94 33.88 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.535 1.534 . . . . 0.0 110.955 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.26 152.51 38.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.437 1.095 . . . . 0.0 111.801 -173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -151.58 153.52 34.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.664 1.186 . . . . 0.0 112.022 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -136.28 50.0 3.71 Favored Pre-proline 0 N--CA 1.48 1.05 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -172.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.66 139.17 51.96 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.799 3.0 . . . . 0.0 112.958 -172.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.252 1.185 0 C-N-CA 125.753 1.621 . . . . 0.0 112.114 178.365 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -73.7 -39.01 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.4 -30.82 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.255 -0.903 . . . . 0.0 112.616 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.11 -15.39 63.05 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 113.035 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -102.87 -55.39 2.44 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.69 1.596 . . . . 0.0 111.573 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 m -80.56 -28.2 37.3 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -169.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -74.21 -37.61 63.82 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.44 0.563 . . . . 0.0 110.73 171.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -81.95 -42.49 19.36 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.164 1.386 . . . . 0.0 113.43 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -132.39 6.0 4.1 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt 66.97 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.338 1.855 . . . . 0.0 112.992 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -128.49 145.06 51.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.994 1.318 . . . . 0.0 113.068 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.9 p -86.23 155.79 20.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.173 1.789 . . . . 0.0 110.448 168.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.19 -29.32 65.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.084 -1.01 . . . . 0.0 113.365 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.72 -28.93 69.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.596 1.159 . . . . 0.0 113.749 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -94.97 -4.74 46.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -85.03 -33.87 22.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.446 0.699 . . . . 0.0 110.103 167.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -57.53 -22.14 42.51 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.455 1.102 . . . . 0.0 113.722 172.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -57.27 -27.78 62.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.016 1.326 . . . . 0.0 113.307 171.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -104.13 -10.68 17.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.427 1.491 . . . . 0.0 113.776 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.92 152.56 45.47 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.307 0.958 . . . . 0.0 112.32 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.945 1.698 . . . . 0.0 112.582 175.921 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.31 138.26 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.305 1.442 . . . . 0.0 112.306 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -142.96 62.28 1.4 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.751 1.221 . . . . 0.0 111.148 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -133.41 66.24 1.56 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.075 1.35 . . . . 0.0 112.412 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 48.79 56.88 7.01 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.299 1.44 . . . . 0.0 113.235 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.16 126.13 28.55 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.641 -0.662 . . . . 0.0 109.786 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -146.56 141.47 27.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.005 . . . . 0.0 111.022 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 -131.5 52.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 122.144 -0.348 . . . . 0.0 112.424 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -51.55 -29.61 17.63 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -73.81 -28.17 61.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.263 -0.898 . . . . 0.0 112.856 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -81.18 -34.4 32.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.299 1.04 . . . . 0.0 111.342 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.66 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.066 0.946 . . . . 0.0 109.855 169.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -40.08 92.31 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.886 1.274 . . . . 0.0 112.59 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.32 91.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.191 -0.943 . . . . 0.0 112.312 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.1 -45.31 89.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.958 0.503 . . . . 0.0 111.689 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -56.98 -41.01 77.61 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.084 0.953 . . . . 0.0 112.532 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 tp -66.07 -37.63 86.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.74 1.216 . . . . 0.0 112.313 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.52 -42.43 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -79.37 -16.42 56.29 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.58 51.02 60.41 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.378 0.99 . . . . 0.0 114.333 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 62.81 9.65 3.77 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.17 -16.39 61.43 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.764 -1.21 . . . . 0.0 113.454 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.17 160.27 36.33 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.596 1.569 . . . . 0.0 113.465 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.37 162.52 33.41 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.193 1.397 . . . . 0.0 112.576 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -91.36 140.84 29.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.24 1.016 . . . . 0.0 111.214 169.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -150.25 156.82 42.28 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.135 1.374 . . . . 0.0 110.581 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -143.99 154.9 43.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.343 1.057 . . . . 0.0 112.853 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt 54.06 71.76 1.28 Allowed Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 127.635 2.374 . . . . 0.0 114.296 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.8 153.49 58.89 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.734 2.956 . . . . 0.0 112.839 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.254 1.295 0 C-N-CA 126.312 1.845 . . . . 0.0 113.113 177.153 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 19' ' ' TYR . 9.2 tt -67.99 -36.46 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.847 1.259 . . . . 0.0 113.613 -170.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.14 -35.99 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.287 0.635 . . . . 0.0 111.54 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.17 -17.15 64.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.029 0.932 . . . . 0.0 112.529 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -94.06 -60.63 1.7 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.949 1.3 . . . . 0.0 111.022 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.69 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -171.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -82.17 -33.63 29.41 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.795 0.725 . . . . 0.0 112.139 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.8 m -103.64 -38.59 7.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -127.15 5.07 6.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -168.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 mm 66.41 150.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.361 1.865 . . . . 0.0 112.493 -170.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -138.2 -165.15 1.75 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.622 1.569 . . . . 0.0 111.765 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -145.66 154.68 42.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.186 1.394 . . . . 0.0 111.063 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -60.34 -27.58 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -69.07 -26.17 64.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.954 0.902 . . . . 0.0 112.614 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -81.55 -37.45 27.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.42 1.088 . . . . 0.0 111.17 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.88 -35.68 77.27 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.106 0.866 . . . . 0.0 111.603 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.48 -23.3 64.38 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -65.4 -16.55 63.73 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.234 0.925 . . . . 0.0 112.693 174.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' HD12 ' A' ' 2' ' ' ILE . 84.0 m-85 -107.26 -0.23 22.72 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.058 1.743 . . . . 0.0 113.471 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.9 m -69.72 151.82 45.38 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.283 -0.886 . . . . 0.0 111.884 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.4 t30 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.845 1.658 . . . . 0.0 112.511 175.453 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.78 133.44 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.262 1.025 . . . . 0.0 111.623 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -135.46 16.59 3.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.923 1.289 . . . . 0.0 113.264 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.67 89.25 1.32 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.897 1.679 . . . . 0.0 112.917 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 52.38 54.05 11.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.441 1.496 . . . . 0.0 112.262 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.5 mt -77.65 123.55 26.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.433 0.693 . . . . 0.0 110.41 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 m -135.85 139.89 43.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.335 1.054 . . . . 0.0 110.494 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.29 -122.41 21.19 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.402 0.525 . . . . 0.0 112.497 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.62 -32.78 52.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.834 1.254 . . . . 0.0 113.938 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -74.18 -33.27 63.41 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 112.941 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.414 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.1 tm? -71.1 -47.74 56.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.218 0.607 . . . . 0.0 109.503 172.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.49 -38.57 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.899 1.28 . . . . 0.0 111.9 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -41.68 94.33 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.733 1.213 . . . . 0.0 112.397 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.52 71.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.619 -0.676 . . . . 0.0 112.554 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -45.66 93.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.504 0.722 . . . . 0.0 110.818 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -62.14 -39.52 92.87 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.38 0.672 . . . . 0.0 112.278 173.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.0 tp -67.75 -30.54 70.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.393 0.677 . . . . 0.0 112.239 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.0 -50.02 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.431 1.092 . . . . 0.0 112.159 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.33 -30.13 33.96 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.0 -146.8 48.64 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.267 0.937 . . . . 0.0 113.143 -173.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.02 -2.89 8.52 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.79 -31.52 72.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.401 1.48 . . . . 0.0 113.129 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.77 168.01 44.19 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.947 1.261 . . . . 0.0 113.52 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -159.74 174.12 15.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.773 1.629 . . . . 0.0 112.126 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.13 158.86 34.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.999 1.32 . . . . 0.0 111.724 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -136.54 129.22 30.59 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.945 1.298 . . . . 0.0 111.41 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 p -88.19 78.42 8.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.606 1.162 . . . . 0.0 110.271 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.51 147.7 76.25 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.449 1.1 . . . . 0.0 113.04 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.08 -16.25 17.99 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.382 2.721 . . . . 0.0 114.679 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.822 1.649 . . . . 0.0 112.074 -179.269 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -66.28 -35.61 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.483 -1.01 . . . . 0.0 113.58 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.82 -30.54 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.299 1.04 . . . . 0.0 112.034 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -69.98 -10.61 59.2 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.872 1.269 . . . . 0.0 112.818 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -113.66 -58.28 2.17 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.014 1.326 . . . . 0.0 112.31 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.69 -21.26 21.72 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -170.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -101.9 -41.34 6.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.355 1.062 . . . . 0.0 111.337 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -80.12 -26.89 39.25 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.748 0.819 . . . . 0.0 111.96 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -135.65 -163.25 1.36 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.589 1.956 . . . . 0.0 109.331 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mm -81.87 137.21 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.797 0.839 . . . . 0.0 111.618 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -77.49 155.63 31.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.858 1.263 . . . . 0.0 114.139 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -140.91 131.17 24.96 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.726 1.21 . . . . 0.0 110.665 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.93 -27.61 68.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.342 1.057 . . . . 0.0 113.159 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -67.34 -25.89 66.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.598 0.759 . . . . 0.0 112.422 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -79.67 -39.6 30.99 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.645 0.778 . . . . 0.0 110.75 169.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.13 -20.82 60.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 172.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -71.61 -28.47 63.81 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.085 -1.01 . . . . 0.0 112.877 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.71 -13.63 31.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.103 1.361 . . . . 0.0 112.072 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.3 152.64 32.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.361 1.864 . . . . 0.0 112.908 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.529 1.531 . . . . 0.0 111.371 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.878 -0.106 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.64 141.01 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.373 1.469 . . . . 0.0 112.324 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -149.59 51.66 0.94 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.847 1.259 . . . . 0.0 112.331 -169.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -135.73 56.74 1.82 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.01 1.324 . . . . 0.0 112.484 -170.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 50.11 65.94 1.29 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.418 1.487 . . . . 0.0 112.9 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.52 123.88 27.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.525 0.73 . . . . 0.0 109.722 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -134.93 147.57 49.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.149 1.38 . . . . 0.0 110.803 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.24 -126.63 42.95 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.984 0.802 . . . . 0.0 112.615 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -54.06 -32.36 54.38 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.667 1.187 . . . . 0.0 113.256 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -71.31 -27.47 63.42 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.906 0.882 . . . . 0.0 112.742 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.95 -37.98 28.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.537 0.735 . . . . 0.0 111.557 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.8 -31.55 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.437 -0.79 . . . . 0.0 112.249 169.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.73 -37.13 85.35 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.557 -0.714 . . . . 0.0 111.297 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.98 70.16 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 111.701 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.74 -42.94 98.38 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.095 0.558 . . . . 0.0 111.179 172.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.48 -36.84 85.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.53 -30.59 71.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.874 0.87 . . . . 0.0 112.162 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.88 -42.01 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.0 1.32 . . . . 0.0 112.496 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -90.8 -29.81 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 -140.87 47.95 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.044 0.831 . . . . 0.0 113.533 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.75 -3.9 31.29 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -61.64 -33.24 73.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.504 1.121 . . . . 0.0 113.708 174.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 155.03 5.07 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.615 1.102 . . . . 0.0 113.255 -170.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -139.26 163.47 32.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.502 1.521 . . . . 0.0 112.211 -171.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -123.49 100.39 6.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.416 1.486 . . . . 0.0 109.138 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -67.5 155.22 39.59 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.451 0.643 . . . . 0.0 111.572 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.336 21.5 p 52.66 40.4 30.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -56.72 154.19 18.95 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.158 1.783 . . . . 0.0 109.663 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -59.89 -13.23 21.69 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.126 2.551 . . . . 0.0 116.676 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.25 1.109 0 C-N-CA 126.231 1.812 . . . . 0.0 112.7 174.533 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.9 tt -72.58 -40.95 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -171.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.18 -29.2 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.237 -0.915 . . . . 0.0 112.068 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.07 -6.18 31.93 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.399 1.479 . . . . 0.0 113.378 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -108.85 -53.04 2.69 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.438 1.495 . . . . 0.0 110.243 169.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.43 -32.01 64.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -76.23 -39.27 54.98 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.66 0.664 . . . . 0.0 111.949 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 p -100.86 -32.2 10.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.998 1.319 . . . . 0.0 114.464 -170.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -131.62 7.25 4.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.09 1.356 . . . . 0.0 114.622 -169.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.13 151.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 127.616 2.366 . . . . 0.0 113.984 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.7 m -128.05 140.79 51.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.873 1.669 . . . . 0.0 112.299 171.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.9 p -91.95 162.87 14.22 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.835 1.254 . . . . 0.0 108.639 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.84 -25.88 63.66 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.84 -29.1 67.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.945 0.898 . . . . 0.0 112.445 174.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -75.95 -36.91 59.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.697 0.799 . . . . 0.0 111.396 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.46 -36.5 79.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.394 0.543 . . . . 0.0 112.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.34 -20.82 31.31 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -67.82 -18.15 64.75 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.507 ' CD1' HD12 ' A' ' 2' ' ' ILE . 67.4 m-85 -112.94 -4.29 13.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.153 1.381 . . . . 0.0 113.799 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.5 m -68.41 149.09 49.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.14 0.882 . . . . 0.0 112.551 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 172.184 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.283 0.087 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.7 125.65 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.617 1.567 . . . . 0.0 111.671 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.42 71.59 1.46 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.004 1.722 . . . . 0.0 109.29 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.16 72.59 1.37 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.463 1.505 . . . . 0.0 113.26 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 51.18 53.82 12.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.199 1.399 . . . . 0.0 113.537 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.454 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.2 mm? -68.52 118.11 11.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.959 -175.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -143.95 145.61 32.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.516 1.126 . . . . 0.0 111.124 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.73 -132.75 52.71 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 123.464 0.554 . . . . 0.0 111.932 -172.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -57.36 -25.17 59.02 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -70.26 -30.29 67.3 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.389 -0.82 . . . . 0.0 112.711 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.58 -43.07 66.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.139 0.576 . . . . 0.0 110.08 174.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.88 -43.26 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.527 1.131 . . . . 0.0 110.817 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.05 -43.61 98.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.019 1.328 . . . . 0.0 112.321 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.42 82.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.359 -0.838 . . . . 0.0 112.236 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.91 -45.15 90.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.428 0.558 . . . . 0.0 111.06 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -59.69 -38.85 82.69 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.034 0.834 . . . . 0.0 112.657 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.72 -38.05 88.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.817 1.247 . . . . 0.0 112.123 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.92 -42.57 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.107 0.963 . . . . 0.0 112.639 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.18 -13.05 60.01 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.2 52.74 45.03 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.292 0.949 . . . . 0.0 112.64 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.321 8.3 pt-20 55.54 12.69 0.82 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.647 2.379 . . . . 0.0 117.062 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -69.09 -18.07 63.94 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.751 1.22 . . . . 0.0 113.879 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.68 168.9 43.56 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.662 1.125 . . . . 0.0 113.101 -170.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -158.48 154.82 27.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.963 1.305 . . . . 0.0 111.721 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -77.77 -50.63 11.98 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 112.859 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.265 7.4 p90 45.05 -176.16 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.675 2.79 . . . . 0.0 115.859 -175.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.6 p -138.02 140.34 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.386 -1.446 . . . . 0.0 111.241 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.33 131.93 90.0 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.684 1.194 . . . . 0.0 111.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.87 137.55 77.07 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.866 2.377 . . . . 0.0 111.839 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.615 1.566 . . . . 0.0 110.722 -178.929 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -59.4 -32.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.435 1.494 . . . . 0.0 114.144 -169.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -64.58 -30.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.293 -0.879 . . . . 0.0 112.069 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.11 6.99 6.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.407 1.483 . . . . 0.0 112.623 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -130.67 -38.99 1.28 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 112.961 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.55 -11.4 17.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -171.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.27 -43.61 4.75 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.772 1.229 . . . . 0.0 111.67 171.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.6 p -67.19 -39.27 86.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.761 0.824 . . . . 0.0 111.684 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -122.44 -156.56 0.7 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.605 2.362 . . . . 0.0 107.63 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -129.23 136.78 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.392 1.077 . . . . 0.0 109.62 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.57 150.52 37.88 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.883 1.273 . . . . 0.0 112.703 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -78.24 156.43 29.74 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.559 1.144 . . . . 0.0 112.427 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.46 -27.97 58.36 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.52 -27.57 68.56 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.0 0.92 . . . . 0.0 113.093 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.94 -16.21 51.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.748 1.619 . . . . 0.0 112.08 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.21 -36.18 35.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.255 1.022 . . . . 0.0 111.673 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.04 -28.18 62.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.98 0.912 . . . . 0.0 113.041 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.05 -26.1 59.78 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.991 1.316 . . . . 0.0 113.66 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -104.27 0.06 28.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 0.0 113.269 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -91.0 151.5 21.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.42 1.488 . . . . 0.0 112.659 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.915 1.286 . . . . 0.0 113.537 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 t80 . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.045 0.926 . . . . 0.0 112.967 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.81 65.23 0.92 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.034 1.334 . . . . 0.0 110.157 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -133.81 45.08 2.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.154 1.381 . . . . 0.0 113.117 -169.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 54.12 82.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.556 1.542 . . . . 0.0 111.471 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.03 110.22 14.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.0 0.92 . . . . 0.0 108.878 -173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.83 139.11 52.32 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.17 -120.68 19.01 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.098 0.856 . . . . 0.0 112.654 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -51.28 -36.99 44.91 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.938 1.295 . . . . 0.0 113.726 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -72.12 -35.69 69.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.072 0.851 . . . . 0.0 112.82 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.6 -46.72 71.79 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.798 0.839 . . . . 0.0 109.944 174.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.56 -42.35 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.777 1.231 . . . . 0.0 111.566 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.67 -41.65 97.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.638 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.26 84.87 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.68 -0.637 . . . . 0.0 112.666 175.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.8 96.07 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.898 -0.501 . . . . 0.0 110.635 175.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.44 -37.55 87.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.46 -29.58 69.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.993 0.917 . . . . 0.0 112.365 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -86.42 -42.54 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.988 1.315 . . . . 0.0 112.268 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.3 t -88.18 -32.29 18.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -155.31 53.41 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.32 0.962 . . . . 0.0 112.936 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.32 5.32 5.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -66.56 -25.63 66.73 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.953 1.301 . . . . 0.0 113.749 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.89 152.14 13.57 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.863 1.22 . . . . 0.0 113.754 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -150.69 168.93 22.87 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 112.932 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -102.59 152.91 20.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.689 1.596 . . . . 0.0 111.808 171.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -154.12 167.41 29.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.75 1.22 . . . . 0.0 110.778 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -129.22 155.85 44.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.538 1.135 . . . . 0.0 111.744 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -148.84 154.0 39.59 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.632 1.573 . . . . 0.0 112.18 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.38 -14.03 20.45 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 123.357 2.705 . . . . 0.0 114.015 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 126.896 2.079 . . . . 0.0 113.202 -175.834 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.419 HD12 ' CD1' ' A' ' 19' ' ' TYR . 8.7 tt -85.28 -31.56 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.57 -33.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.303 -0.873 . . . . 0.0 111.319 -173.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.26 -7.08 21.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.512 1.125 . . . . 0.0 114.014 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -121.41 -29.25 4.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.204 1.402 . . . . 0.0 113.6 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.0 m -106.8 -20.2 13.41 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -103.04 -43.89 5.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 111.602 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -77.26 -27.2 53.11 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.415 -0.803 . . . . 0.0 112.098 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -134.95 179.84 6.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.969 2.108 . . . . 0.0 110.284 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.98 141.74 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.311 1.044 . . . . 0.0 110.25 172.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -134.5 164.41 27.53 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.533 1.133 . . . . 0.0 113.694 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -105.26 154.98 19.51 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.653 1.981 . . . . 0.0 112.897 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.45 -27.03 55.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.64 -28.84 65.12 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.62 -0.675 . . . . 0.0 112.367 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -75.15 -24.61 57.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.784 1.234 . . . . 0.0 111.456 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.44 -35.37 46.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.326 0.65 . . . . 0.0 111.89 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.62 -20.21 65.49 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.1 -12.59 40.69 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.657 0.783 . . . . 0.0 112.946 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CD1' HD12 ' A' ' 2' ' ' ILE . 58.5 m-85 -112.32 2.41 16.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.171 1.788 . . . . 0.0 113.797 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -75.17 160.65 30.18 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.572 1.078 . . . . 0.0 111.477 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.385 0 C-N-CA 126.097 1.759 . . . . 0.0 111.011 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.0 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -121.2 140.22 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.072 1.349 . . . . 0.0 112.35 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -145.36 39.38 1.18 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.079 1.351 . . . . 0.0 112.231 -169.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -119.41 63.18 0.8 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.282 1.433 . . . . 0.0 111.434 -170.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 43.71 61.2 2.36 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.598 1.959 . . . . 0.0 113.544 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.9 mm? -70.05 123.99 22.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.79 1.236 . . . . 0.0 110.968 -174.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -130.39 143.13 50.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.434 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.44 -123.35 32.4 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.863 0.745 . . . . 0.0 112.766 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -53.02 -34.24 55.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.916 1.286 . . . . 0.0 113.071 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -73.86 -29.8 62.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 112.497 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' B' ' 26' ' ' TYR . 3.2 tm? -71.24 -49.92 38.29 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.222 0.609 . . . . 0.0 109.74 176.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -66.65 -29.25 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.64 -41.63 95.29 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.418 0.687 . . . . 0.0 111.093 169.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.25 66.67 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.568 -0.707 . . . . 0.0 111.977 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -45.2 92.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.548 0.739 . . . . 0.0 110.942 175.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.3 -37.3 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.372 1.069 . . . . 0.0 112.781 173.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.73 -31.38 72.53 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.687 0.795 . . . . 0.0 112.099 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.59 -45.51 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 112.32 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -81.25 -30.11 34.22 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.221 -0.924 . . . . 0.0 113.429 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.79 -120.98 25.12 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 119.178 0.899 . . . . 0.0 111.718 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.73 -3.2 40.01 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -77.21 40.51 0.27 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.634 1.574 . . . . 0.0 114.571 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.76 -68.38 0.04 OUTLIER Glycine 0 CA--C 1.541 1.705 0 C-N-CA 127.984 2.707 . . . . 0.0 116.783 169.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . 0.317 1.9 p90 60.89 159.77 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 131.154 3.782 . . . . 0.0 118.546 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -127.69 148.77 50.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.303 1.841 . . . . 0.0 112.071 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' B' ' 11' ' ' LEU . 38.8 t80 -140.2 164.67 29.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.197 1.799 . . . . 0.0 111.147 172.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -73.08 -16.1 61.48 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -91.96 124.37 60.33 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.025 1.33 . . . . 0.0 110.568 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.54 126.78 19.11 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.612 2.208 . . . . 0.0 111.199 169.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.229 1.412 . . . . 0.0 111.138 -175.584 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tt -84.25 -28.99 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.8 140.92 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.865 0.866 . . . . 0.0 109.453 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 55.23 32.31 18.29 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -132.19 -52.67 0.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.993 1.317 . . . . 0.0 111.835 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.7 m -96.82 -4.36 40.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.332 1.053 . . . . 0.0 113.755 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.04 -50.4 4.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.819 1.647 . . . . 0.0 111.715 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 p -80.91 -21.88 40.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.099 1.36 . . . . 0.0 113.441 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -140.9 -174.26 3.94 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.918 2.087 . . . . 0.0 110.279 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.16 142.79 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.882 1.273 . . . . 0.0 111.742 -177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.82 -174.12 2.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.298 1.839 . . . . 0.0 112.845 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -138.12 153.02 49.28 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.915 1.686 . . . . 0.0 108.933 169.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -22.38 61.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.22 -28.17 67.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.142 0.977 . . . . 0.0 113.472 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -92.89 -2.91 55.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -84.74 -41.57 16.07 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 167.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.98 -26.48 48.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.445 171.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -53.66 -29.65 39.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.913 1.285 . . . . 0.0 113.245 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -102.15 -1.05 32.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.159 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -79.17 147.07 32.79 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.163 -0.961 . . . . 0.0 112.855 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.07 1.348 . . . . 0.0 112.083 172.303 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -64.53 112.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 122.078 0.942 . . . . 0.0 113.305 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.74 12.96 2.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.965 1.706 . . . . 0.0 113.257 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -77.12 77.76 3.65 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.685 1.994 . . . . 0.0 113.361 -170.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 53.26 46.53 26.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.032 1.333 . . . . 0.0 113.55 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.04 131.51 40.64 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.275 -0.891 . . . . 0.0 109.769 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.35 147.13 51.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.187 1.395 . . . . 0.0 111.052 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.38 -126.66 42.79 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 123.776 0.703 . . . . 0.0 112.628 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -53.53 -28.65 32.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.534 1.134 . . . . 0.0 113.87 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -75.84 -31.54 59.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.844 0.747 . . . . 0.0 112.432 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.74 -36.93 56.79 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.808 0.843 . . . . 0.0 110.466 176.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.18 -42.15 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.622 1.169 . . . . 0.0 110.257 168.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.76 -38.06 89.71 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.749 1.22 . . . . 0.0 113.043 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.46 87.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.561 1.073 . . . . 0.0 111.362 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.64 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.075 -0.391 . . . . 0.0 111.181 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -62.45 -38.85 91.39 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.097 0.959 . . . . 0.0 112.358 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 tp -67.44 -29.28 68.71 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.559 -0.713 . . . . 0.0 112.242 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.25 -45.3 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.471 1.108 . . . . 0.0 112.642 174.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 t -94.76 -23.65 17.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -168.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.8 -152.66 51.66 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 121.328 -0.858 . . . . 0.0 113.192 -171.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.17 1.05 19.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.86 1.429 . . . . 0.0 114.86 -171.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -74.55 -11.19 60.15 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.98 161.9 24.49 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.99 1.281 . . . . 0.0 113.649 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.83 156.6 36.5 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.149 0.98 . . . . 0.0 113.075 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -90.13 41.27 1.04 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 113.617 -169.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.73 151.49 25.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 171.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -138.14 151.25 47.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.095 0.958 . . . . 0.0 112.939 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -79.62 161.43 66.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 126.036 1.734 . . . . 0.0 112.737 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.1 -30.02 90.48 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 115.03 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.559 1.944 . . . . 0.0 112.837 178.386 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.33 -40.47 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -171.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.19 -33.0 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.325 -0.86 . . . . 0.0 111.656 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.8 -12.93 58.08 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.305 1.442 . . . . 0.0 112.946 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -109.68 -40.62 4.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.633 1.173 . . . . 0.0 113.438 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -95.87 -17.95 20.72 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -115.77 -41.7 3.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.302 1.041 . . . . 0.0 112.648 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -74.22 -24.97 59.41 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.408 -0.808 . . . . 0.0 111.452 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -134.14 -163.08 1.32 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.405 2.282 . . . . 0.0 108.617 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mt -115.11 137.6 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.888 1.275 . . . . 0.0 109.519 171.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -120.86 159.61 25.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.797 1.239 . . . . 0.0 113.543 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -94.81 155.19 16.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.863 1.665 . . . . 0.0 112.15 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.74 -28.92 37.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.197 1.399 . . . . 0.0 114.44 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -63.64 -28.73 70.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 112.814 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -78.97 -23.92 44.21 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.6 1.56 . . . . 0.0 111.724 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.81 -38.27 46.79 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.469 1.108 . . . . 0.0 111.881 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.29 -25.71 59.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.71 -20.26 63.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.515 1.126 . . . . 0.0 113.697 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.26 2.5 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.509 1.524 . . . . 0.0 113.095 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.55 140.03 30.13 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.762 1.625 . . . . 0.0 112.676 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 128.72 2.808 . . . . 0.0 115.226 171.612 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.74 139.43 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.744 1.618 . . . . 0.0 111.702 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -142.66 56.87 1.43 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.089 1.756 . . . . 0.0 111.276 -169.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -133.58 59.55 1.73 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.552 1.541 . . . . 0.0 113.04 -169.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 48.64 56.53 7.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.396 1.478 . . . . 0.0 113.549 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.403 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.9 mm? -66.83 121.21 14.97 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.095 -1.003 . . . . 0.0 109.665 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.59 144.56 37.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.897 1.279 . . . . 0.0 111.34 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.63 39.81 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.346 0.498 . . . . 0.0 112.591 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 p -51.69 -33.11 32.61 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.959 1.303 . . . . 0.0 113.9 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -75.1 -28.17 60.14 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.572 -0.705 . . . . 0.0 112.509 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.55 -34.61 46.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.389 0.676 . . . . 0.0 110.938 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.61 -43.94 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.178 0.991 . . . . 0.0 110.276 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.69 -40.94 98.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.197 0.999 . . . . 0.0 111.861 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.83 -37.4 81.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.992 0.815 . . . . 0.0 112.803 175.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -41.46 95.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.37 -0.831 . . . . 0.0 111.235 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.92 -36.57 84.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.07 -33.17 73.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.024 0.93 . . . . 0.0 112.2 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -90.4 -41.2 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.981 1.312 . . . . 0.0 113.085 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -98.55 -23.38 15.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.082 1.353 . . . . 0.0 114.622 -170.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.38 -142.24 47.88 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.317 -0.864 . . . . 0.0 113.183 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.04 0.5 15.79 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.58 -4.06 46.91 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -172.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 146.47 2.84 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.509 1.528 . . . . 0.0 113.883 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -147.01 159.01 44.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.986 0.915 . . . . 0.0 112.972 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -127.03 48.7 2.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.774 1.63 . . . . 0.0 111.771 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.32 145.07 52.71 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.122 0.969 . . . . 0.0 111.69 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -95.0 106.2 18.17 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.271 -0.893 . . . . 0.0 111.417 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -70.42 156.47 91.85 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.441 1.096 . . . . 0.0 112.032 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.14 -22.01 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.575 2.183 . . . . 0.0 113.905 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.851 1.661 . . . . 0.0 111.889 179.397 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 19' ' ' TYR . 9.7 tp -70.16 -27.62 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.06 -35.92 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.919 -1.113 . . . . 0.0 111.667 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.89 15.02 1.54 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.929 1.292 . . . . 0.0 112.972 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -133.47 -31.4 1.22 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.656 1.582 . . . . 0.0 113.122 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -113.07 -18.85 12.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.692 1.597 . . . . 0.0 114.809 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.0 t -100.08 -30.63 11.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.528 1.058 . . . . 0.0 112.334 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -79.16 -31.58 44.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.769 1.228 . . . . 0.0 112.886 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -150.98 173.77 13.91 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.294 2.238 . . . . 0.0 109.712 172.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -76.6 142.12 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.442 -0.786 . . . . 0.0 111.023 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -126.76 162.78 25.03 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.51 1.524 . . . . 0.0 112.568 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.1 p -107.6 155.78 19.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.369 1.867 . . . . 0.0 112.226 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.5 -29.82 38.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.122 1.369 . . . . 0.0 114.223 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -64.96 -25.6 67.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.141 0.976 . . . . 0.0 112.926 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -78.27 -19.12 54.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.141 1.376 . . . . 0.0 112.182 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.98 -27.68 28.27 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.965 0.906 . . . . 0.0 111.902 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.75 -26.45 67.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.537 0.735 . . . . 0.0 112.591 174.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.24 -24.12 66.13 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.083 1.353 . . . . 0.0 113.4 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE1' HD13 ' A' ' 2' ' ' ILE . 94.7 m-85 -103.97 -3.47 24.63 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.955 1.702 . . . . 0.0 113.305 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.39 150.4 25.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.622 1.569 . . . . 0.0 111.833 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.571 1.148 . . . . 0.0 112.774 173.01 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.849 -0.056 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.74 131.61 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.19 1.396 . . . . 0.0 112.511 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.4 49.63 1.99 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.215 1.406 . . . . 0.0 110.529 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -133.64 71.71 1.47 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.032 1.333 . . . . 0.0 113.416 -169.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 43.66 52.61 6.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.631 1.972 . . . . 0.0 113.799 170.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.47 131.94 51.8 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.183 1.393 . . . . 0.0 111.175 -172.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 141.59 27.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.238 0.615 . . . . 0.0 111.202 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.21 -125.13 35.11 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 123.817 0.723 . . . . 0.0 112.132 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -51.79 -35.8 45.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.878 1.271 . . . . 0.0 114.024 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -70.43 -30.74 67.67 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.5 tp -82.99 -42.78 17.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.462 0.705 . . . . 0.0 110.572 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.03 -40.38 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.336 1.054 . . . . 0.0 111.54 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -37.36 81.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.847 1.259 . . . . 0.0 112.536 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.29 -39.28 65.46 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.394 -0.816 . . . . 0.0 112.81 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.9 -42.01 98.58 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.67 -0.644 . . . . 0.0 110.886 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.98 -39.36 94.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -33.9 77.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.481 0.712 . . . . 0.0 112.465 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -85.74 -43.34 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.621 1.168 . . . . 0.0 112.585 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -91.58 -27.2 18.32 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.94 -139.49 48.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.413 1.006 . . . . 0.0 113.646 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.38 -3.29 26.38 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -67.69 -28.71 67.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.111 0.964 . . . . 0.0 113.167 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.94 6.24 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.087 1.327 . . . . 0.0 113.565 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -140.26 165.4 27.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.164 1.386 . . . . 0.0 112.55 -172.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -128.56 112.74 14.63 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.101 1.36 . . . . 0.0 110.422 -173.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -79.07 -21.0 47.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.187 0.995 . . . . 0.0 113.601 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p 60.29 179.45 0.1 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.201 2.2 . . . . 0.0 114.592 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -137.48 123.42 13.05 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.406 1.483 . . . . 0.0 109.963 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.97 -24.07 4.21 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.761 2.307 . . . . 0.0 114.004 -174.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 C--O 1.251 1.144 0 C-N-CA 126.304 1.842 . . . . 0.0 110.673 -175.911 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 CA-C-O 121.218 0.343 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 19' ' ' TYR . 8.2 tp -69.51 -38.85 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.389 1.075 . . . . 0.0 113.29 -173.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.72 -31.63 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.322 -0.861 . . . . 0.0 112.005 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.36 -7.62 32.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.296 1.438 . . . . 0.0 113.078 173.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.83 -57.97 1.97 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.845 1.658 . . . . 0.0 110.388 170.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.67 55.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.3 -40.49 7.9 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.743 0.817 . . . . 0.0 111.95 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -68.01 -29.52 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.139 0.976 . . . . 0.0 112.266 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -133.52 -126.63 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.175 1.39 . . . . 0.0 109.743 169.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mt -139.92 142.72 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.133 1.773 . . . . 0.0 107.888 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.06 152.87 52.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.699 0.8 . . . . 0.0 112.803 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.7 p -100.21 169.03 9.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.153 1.781 . . . . 0.0 113.161 -174.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.84 -27.89 32.46 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -72.18 -28.24 63.09 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.817 0.847 . . . . 0.0 112.277 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -81.49 -25.31 36.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.59 1.156 . . . . 0.0 111.916 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -74.4 -39.97 62.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.874 0.761 . . . . 0.0 112.147 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.26 -18.22 60.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.03 -20.2 50.92 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.681 0.792 . . . . 0.0 112.708 170.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.477 ' CE1' HD13 ' A' ' 2' ' ' ILE . 95.4 m-85 -106.8 13.36 27.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.611 1.164 . . . . 0.0 113.513 -175.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.54 163.96 18.0 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 C-N-CA 124.935 1.294 . . . . 0.0 111.29 169.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.3 m -68.04 122.74 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.1 0.96 . . . . 0.0 113.295 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -137.25 66.4 1.46 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.12 1.768 . . . . 0.0 109.226 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -139.0 60.55 1.59 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.651 1.181 . . . . 0.0 113.017 -169.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 48.81 49.36 19.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.21 1.404 . . . . 0.0 113.823 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.8 122.54 15.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.338 1.055 . . . . 0.0 111.397 -170.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.79 142.9 38.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.139 0.976 . . . . 0.0 111.179 -176.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.39 -124.74 26.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.872 0.749 . . . . 0.0 112.351 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -53.93 -31.4 50.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.981 1.312 . . . . 0.0 113.769 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.72 -34.86 67.37 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 112.577 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.15 -44.37 65.67 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.4 -41.89 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.015 0.926 . . . . 0.0 111.718 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.62 -41.73 91.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.789 1.236 . . . . 0.0 111.699 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.37 -36.98 71.65 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -42.45 98.43 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.307 -0.87 . . . . 0.0 110.745 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.63 -33.5 75.09 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.23 -30.69 70.67 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.125 -0.984 . . . . 0.0 112.112 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.38 -44.5 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.607 1.163 . . . . 0.0 112.497 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.3 m -108.53 -18.03 13.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -169.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.36 -131.11 48.64 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.62 1.105 . . . . 0.0 113.772 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.85 -2.54 27.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -67.75 -28.05 67.3 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.445 1.021 . . . . 0.0 113.011 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.54 153.46 15.23 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.015 1.293 . . . . 0.0 113.764 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -154.28 170.13 22.02 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.325 1.45 . . . . 0.0 113.045 -172.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -115.95 153.73 31.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.315 1.846 . . . . 0.0 111.946 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -154.26 166.76 32.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.5 1.52 . . . . 0.0 110.581 169.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.8 t -143.55 161.85 37.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.06 0.944 . . . . 0.0 112.565 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -87.2 152.12 52.41 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 126.063 1.745 . . . . 0.0 112.315 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.3 -14.5 16.42 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 113.878 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.092 2.157 . . . . 0.0 112.983 -176.473 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 19' ' ' TYR . 13.3 tt -76.05 -35.47 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -172.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.23 -29.36 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 120.91 -1.119 . . . . 0.0 111.744 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.67 5.07 5.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.482 1.913 . . . . 0.0 113.452 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -128.09 -43.64 1.48 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 112.234 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.31 -6.24 23.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -169.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.1 -37.93 5.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.743 1.217 . . . . 0.0 111.851 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 p -71.85 -30.7 65.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.72 172.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -138.19 -163.62 1.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.5 2.32 . . . . 0.0 109.242 171.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.33 141.81 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.971 1.309 . . . . 0.0 111.629 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.0 m -122.09 147.31 46.28 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.307 1.843 . . . . 0.0 112.675 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -90.07 164.24 14.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.072 1.349 . . . . 0.0 110.508 169.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.27 -26.31 60.63 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -68.76 -29.46 67.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.947 0.899 . . . . 0.0 112.563 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -77.22 -27.11 53.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.92 0.888 . . . . 0.0 111.878 171.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.55 -33.01 54.23 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.749 0.704 . . . . 0.0 112.321 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.86 -25.44 65.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -58.95 -22.81 60.78 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.295 1.038 . . . . 0.0 112.963 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 2' ' ' ILE . 88.1 m-85 -105.25 -3.84 22.38 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.764 1.625 . . . . 0.0 113.811 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.33 147.25 49.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.922 0.783 . . . . 0.0 111.276 169.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 125.825 1.65 . . . . 0.0 111.673 172.443 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.871 -0.109 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.85 136.89 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 0.0 111.736 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 65.46 0.91 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.493 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.24 -53.86 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -178.45 51.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.154 2.182 . . . . 0.0 110.527 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.28 120.04 18.35 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.486 -1.384 . . . . 0.0 111.514 -169.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.45 143.32 39.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 111.539 -175.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.41 -123.73 32.49 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.773 0.701 . . . . 0.0 112.399 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.44 -33.51 44.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.88 1.272 . . . . 0.0 113.294 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -76.99 -28.78 55.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.995 0.918 . . . . 0.0 112.477 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 11' ' ' LEU . 3.1 tm? -69.18 -50.79 44.37 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.526 0.73 . . . . 0.0 109.726 173.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.24 -30.18 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.48 -39.88 92.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.551 0.74 . . . . 0.0 111.617 169.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.69 -35.28 67.62 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.68 -0.637 . . . . 0.0 112.102 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.53 88.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.139 174.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -60.68 -40.1 90.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.354 1.062 . . . . 0.0 112.367 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.05 -29.27 70.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.743 0.817 . . . . 0.0 112.166 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.31 -45.93 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.599 1.16 . . . . 0.0 112.456 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.79 -20.35 46.39 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.385 0.993 . . . . 0.0 113.584 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.64 -117.5 11.17 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 112.436 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.62 -11.9 60.1 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -86.42 150.23 24.45 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.655 1.182 . . . . 0.0 112.025 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.3 173.4 46.14 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.207 0.908 . . . . 0.0 113.74 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -151.46 165.01 35.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.908 1.283 . . . . 0.0 112.17 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -115.41 148.29 39.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.787 1.235 . . . . 0.0 112.42 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -138.9 171.8 13.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.61 1.964 . . . . 0.0 110.917 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p -71.28 -11.56 60.98 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.52 150.99 73.75 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 125.941 1.696 . . . . 0.0 111.985 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.4 -25.33 9.86 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 123.445 2.763 . . . . 0.0 112.731 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 77.3 m . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.883 2.073 . . . . 0.0 110.171 179.371 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.3 tt -79.15 -31.74 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.325 1.05 . . . . 0.0 113.302 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.81 -33.75 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.337 -0.852 . . . . 0.0 111.409 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.78 8.48 2.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.319 1.848 . . . . 0.0 113.737 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -128.16 -48.79 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.509 1.524 . . . . 0.0 111.793 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.5 m -92.96 -20.14 20.91 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -171.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -106.77 -37.22 6.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.39 1.076 . . . . 0.0 112.046 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -78.81 -23.29 45.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.673 0.789 . . . . 0.0 112.853 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 t -139.3 -158.9 0.9 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.53 2.332 . . . . 0.0 108.704 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.81 137.5 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.088 1.355 . . . . 0.0 109.855 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.4 165.37 16.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.244 1.417 . . . . 0.0 112.984 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -106.22 152.9 22.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.07 1.748 . . . . 0.0 112.609 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -26.62 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.683 1.193 . . . . 0.0 114.131 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.39 -26.36 66.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.855 0.862 . . . . 0.0 112.793 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -75.05 -35.91 61.85 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.469 1.108 . . . . 0.0 111.109 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.99 -32.23 73.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.296 0.639 . . . . 0.0 112.274 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.91 -22.87 62.97 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.14 -21.57 64.91 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.307 -0.871 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -100.76 -7.04 24.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.198 1.799 . . . . 0.0 113.243 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -77.22 146.11 37.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.577 1.151 . . . . 0.0 110.792 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.768 1.227 . . . . 0.0 114.185 -175.87 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.054 -0.022 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 m -121.07 135.35 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.456 1.502 . . . . 0.0 112.372 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -140.38 56.23 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.878 1.671 . . . . 0.0 111.149 -168.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -129.92 59.93 1.61 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.318 1.447 . . . . 0.0 111.182 -170.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.4 p80 42.73 60.4 2.45 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.549 1.94 . . . . 0.0 113.165 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.47 128.27 35.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.762 1.625 . . . . 0.0 111.369 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -135.65 146.33 47.72 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.078 0.951 . . . . 0.0 110.866 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.6 -123.98 30.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.736 0.684 . . . . 0.0 112.648 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -50.16 -36.77 31.6 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.556 1.543 . . . . 0.0 113.545 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -71.5 -31.64 67.33 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.774 0.83 . . . . 0.0 112.964 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.96 -39.45 34.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.063 0.945 . . . . 0.0 110.741 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.86 -31.65 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.97 -37.14 81.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.945 0.898 . . . . 0.0 111.887 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.18 -32.87 61.36 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.603 -0.686 . . . . 0.0 112.387 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -40.55 96.59 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.591 -0.693 . . . . 0.0 111.168 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -64.49 -36.4 84.07 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.136 0.974 . . . . 0.0 112.639 172.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.36 -34.4 78.24 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.156 -0.965 . . . . 0.0 112.496 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.15 -44.88 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.869 1.268 . . . . 0.0 112.703 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.0 t -90.8 -12.68 35.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.01 1.324 . . . . 0.0 113.846 -174.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.91 -148.46 48.0 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.301 0.953 . . . . 0.0 112.637 -173.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.54 -1.22 15.12 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -77.76 149.76 34.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.115 1.366 . . . . 0.0 112.178 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.55 73.71 1.37 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.116 1.341 . . . . 0.0 115.024 -172.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -61.33 162.0 8.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.28 1.032 . . . . 0.0 112.231 169.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -111.22 150.74 29.13 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.42 1.088 . . . . 0.0 112.278 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -139.14 139.88 37.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.249 1.42 . . . . 0.0 110.781 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -93.32 17.02 11.93 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -169.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 64.69 161.98 0.12 Allowed Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 128.05 2.54 . . . . 0.0 114.363 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.98 -24.57 33.14 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.847 2.365 . . . . 0.0 114.432 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.367 1.867 . . . . 0.0 110.868 -174.725 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -75.54 -33.36 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -169.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.29 -28.54 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.75 -1.219 . . . . 0.0 111.798 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -73.09 11.57 0.69 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.099 1.76 . . . . 0.0 113.935 169.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -129.11 -46.04 1.24 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.964 1.706 . . . . 0.0 110.909 169.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -81.78 -23.33 36.64 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -111.02 -39.39 4.8 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.525 1.057 . . . . 0.0 113.305 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -72.33 -24.09 61.25 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.839 0.856 . . . . 0.0 112.494 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -133.95 -154.95 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.644 2.378 . . . . 0.0 108.566 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.97 134.2 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.872 1.269 . . . . 0.0 109.628 172.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.7 164.44 13.03 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.021 1.328 . . . . 0.0 112.965 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -113.9 153.2 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.934 1.694 . . . . 0.0 112.234 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -28.6 63.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.529 1.132 . . . . 0.0 113.929 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -68.04 -25.64 65.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.603 0.761 . . . . 0.0 112.727 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -80.89 -36.72 30.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.042 1.337 . . . . 0.0 111.072 170.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.82 -33.73 75.83 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.646 0.657 . . . . 0.0 112.365 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.58 -16.73 41.01 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 173.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -69.6 -21.41 63.59 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.449 1.022 . . . . 0.0 112.765 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -105.09 -11.77 16.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.339 1.456 . . . . 0.0 113.407 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.15 147.95 51.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.62 0.768 . . . . 0.0 112.294 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.432 1.493 . . . . 0.0 112.582 177.119 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.785 -0.15 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.77 135.39 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.791 1.637 . . . . 0.0 111.416 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -135.52 56.77 1.82 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.677 1.991 . . . . 0.0 111.285 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -126.81 64.58 1.28 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.306 1.443 . . . . 0.0 111.995 -169.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 p80 42.82 55.6 4.28 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.58 1.952 . . . . 0.0 113.242 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.54 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.8 mm? -60.07 118.65 6.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.865 1.666 . . . . 0.0 112.0 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.89 143.43 42.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.132 1.373 . . . . 0.0 111.277 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.09 -126.29 38.3 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.824 0.726 . . . . 0.0 112.483 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.37 -27.51 47.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.495 1.118 . . . . 0.0 113.672 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -75.81 -29.08 58.57 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.107 0.867 . . . . 0.0 112.587 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.16 -43.38 61.61 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.662 0.785 . . . . 0.0 109.986 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.29 -43.1 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 110.706 172.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.14 -41.6 97.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.656 1.182 . . . . 0.0 112.351 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -41.29 77.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 112.623 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.53 -40.66 96.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.49 -0.756 . . . . 0.0 111.437 173.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.66 -37.12 86.12 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.46 1.027 . . . . 0.0 112.867 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.39 -33.69 76.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.086 0.955 . . . . 0.0 112.259 177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -87.47 -44.75 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.243 1.017 . . . . 0.0 112.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -88.43 -19.62 26.31 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -173.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.97 -146.17 49.07 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.689 1.138 . . . . 0.0 114.172 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -57.61 -26.47 61.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.48 1.512 . . . . 0.0 114.472 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.08 -20.51 62.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.551 1.14 . . . . 0.0 113.408 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.85 -175.18 54.58 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.685 1.136 . . . . 0.0 114.351 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -157.82 163.36 38.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.061 1.344 . . . . 0.0 112.746 -170.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -90.01 145.1 25.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.391 1.476 . . . . 0.0 111.222 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -139.52 138.24 36.16 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.194 1.397 . . . . 0.0 109.941 171.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -75.26 118.63 18.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.713 0.805 . . . . 0.0 111.737 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -67.58 154.22 93.6 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.423 1.089 . . . . 0.0 112.778 -177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.34 -25.89 63.83 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.182 2.588 . . . . 0.0 114.87 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 N--CA 1.482 1.132 0 C-N-CA 126.261 1.825 . . . . 0.0 112.255 -176.003 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.97 -39.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.67 -30.68 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.532 -0.73 . . . . 0.0 112.449 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.74 -14.83 63.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.668 1.187 . . . . 0.0 113.156 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -102.39 -54.47 2.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.109 1.363 . . . . 0.0 111.786 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.1 -28.32 39.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -168.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.98 -30.72 28.0 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.75 0.705 . . . . 0.0 111.698 173.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 m -87.54 -41.6 13.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.762 1.225 . . . . 0.0 113.406 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -130.25 3.56 4.74 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt 67.71 148.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.054 2.142 . . . . 0.0 113.349 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -132.63 141.04 48.46 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.651 1.58 . . . . 0.0 113.241 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.1 p -86.81 165.09 16.26 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.242 1.417 . . . . 0.0 109.843 168.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.9 -28.53 37.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -70.41 -29.97 66.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.795 0.838 . . . . 0.0 112.545 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -74.72 -36.11 62.68 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.273 0.629 . . . . 0.0 111.164 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.66 -36.92 79.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.43 0.692 . . . . 0.0 111.843 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.72 -18.28 53.43 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.54 -16.68 63.92 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.248 -0.907 . . . . 0.0 113.208 175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -115.38 3.3 14.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.521 1.529 . . . . 0.0 114.301 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.6 m -74.5 149.25 40.36 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.151 -0.968 . . . . 0.0 112.688 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.263 0.7 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.743 2.417 . . . . 0.0 115.245 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 p90 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.8 163.07 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.556 . . . . 0.0 111.639 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -111.05 58.87 0.61 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.198 1.399 . . . . 0.0 109.347 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -122.58 47.38 1.95 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.66 1.584 . . . . 0.0 114.109 -169.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 p80 44.87 52.0 8.27 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.082 1.753 . . . . 0.0 114.295 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.478 HD22 ' H ' ' B' ' 6' ' ' LEU . 2.1 mm? -65.16 135.94 56.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.904 1.282 . . . . 0.0 110.508 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.51 140.54 33.5 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.66 1.184 . . . . 0.0 111.593 -173.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.98 -121.29 18.2 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.866 0.746 . . . . 0.0 112.853 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -51.63 -37.07 48.51 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.355 1.462 . . . . 0.0 113.306 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -73.73 -29.56 62.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.572 0.749 . . . . 0.0 112.585 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.94 -43.84 42.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.425 0.69 . . . . 0.0 110.788 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 m -68.06 -31.82 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.65 -39.21 90.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.409 0.683 . . . . 0.0 111.758 171.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 -38.21 63.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.16 0.584 . . . . 0.0 111.844 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 tp -65.25 -43.3 91.81 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.694 1.198 . . . . 0.0 111.012 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.27 -39.74 93.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.812 0.845 . . . . 0.0 112.368 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.62 -28.3 66.78 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.663 -0.648 . . . . 0.0 112.375 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -84.24 -44.47 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.164 0.985 . . . . 0.0 112.165 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.03 -23.65 38.46 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.65 -148.65 47.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.106 1.336 . . . . 0.0 114.249 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.42 -7.13 17.38 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -80.12 -8.85 59.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.011 1.324 . . . . 0.0 113.578 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.58 175.34 40.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.095 1.331 . . . . 0.0 114.589 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -153.27 163.52 39.76 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.833 1.253 . . . . 0.0 112.823 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -108.14 150.49 27.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.739 1.616 . . . . 0.0 110.689 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -142.24 137.67 30.88 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 0.0 110.789 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -82.64 64.22 7.16 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.997 1.319 . . . . 0.0 112.393 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -56.06 119.0 23.6 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 126.054 1.742 . . . . 0.0 111.575 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.42 -31.24 0.5 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.064 2.509 . . . . 0.0 113.138 -177.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.304 2.242 . . . . 0.0 110.921 -177.834 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.589 HD13 ' CE1' ' A' ' 19' ' ' TYR . 8.3 tp -70.71 -33.47 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.08 0.952 . . . . 0.0 112.955 -174.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.88 -30.74 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.949 -1.094 . . . . 0.0 112.167 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.71 7.65 3.65 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.909 1.684 . . . . 0.0 113.01 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -128.39 -43.08 1.46 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.026 1.73 . . . . 0.0 112.638 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.68 -12.98 18.72 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -108.43 -38.91 5.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.103 0.961 . . . . 0.0 112.163 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 p -73.85 -29.56 62.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.788 . . . . 0.0 112.428 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -143.46 -177.43 5.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.759 2.424 . . . . 0.0 110.512 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.0 mm -86.38 140.57 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.69 0.796 . . . . 0.0 109.204 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.04 -157.73 0.75 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.952 1.301 . . . . 0.0 113.04 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 t -142.83 150.59 40.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.736 1.615 . . . . 0.0 111.67 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -57.74 -27.58 63.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.723 1.209 . . . . 0.0 113.73 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -73.72 -27.29 61.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.392 -0.818 . . . . 0.0 112.43 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -79.69 -19.47 48.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.013 0.925 . . . . 0.0 111.942 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.47 -41.87 45.65 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.1 0.864 . . . . 0.0 110.502 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.04 -19.65 63.11 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.508 -1.37 . . . . 0.0 114.042 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -56.58 -24.8 49.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.013 0.925 . . . . 0.0 113.408 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.589 ' CE1' HD13 ' A' ' 2' ' ' ILE . 84.9 m-85 -102.25 -3.03 27.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.276 1.43 . . . . 0.0 113.436 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 t -91.12 150.71 21.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.743 1.617 . . . . 0.0 111.98 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t30 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.694 1.998 . . . . 0.0 112.846 178.146 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.885 -0.043 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -75.89 117.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.02 0.928 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -136.04 11.56 3.34 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.947 1.299 . . . . 0.0 113.194 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -79.36 76.02 5.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.551 1.94 . . . . 0.0 113.507 -170.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 54.32 37.51 27.61 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.026 1.33 . . . . 0.0 114.305 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.49 133.25 50.86 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.32 -0.862 . . . . 0.0 108.964 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.4 147.03 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.285 1.034 . . . . 0.0 111.55 -173.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 -127.6 45.3 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.418 0.532 . . . . 0.0 112.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -52.18 -33.36 40.33 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.637 1.175 . . . . 0.0 113.513 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -71.91 -31.89 66.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.371 0.669 . . . . 0.0 112.765 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.93 -39.75 41.81 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.964 0.506 . . . . 0.0 110.787 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.67 -40.84 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.781 0.832 . . . . 0.0 110.877 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -64.18 -40.76 96.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.726 1.21 . . . . 0.0 112.927 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -38.94 77.99 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.454 1.025 . . . . 0.0 111.971 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.96 -39.57 87.28 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 110.995 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -64.24 -42.07 96.69 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.179 0.992 . . . . 0.0 112.452 169.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -30.32 69.33 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.904 0.775 . . . . 0.0 112.158 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -78.39 -46.84 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.28 1.032 . . . . 0.0 111.997 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.59 -33.79 47.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -171.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.54 -143.44 48.07 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.606 1.098 . . . . 0.0 112.972 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -74.67 -0.11 16.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.58 -33.91 77.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.384 1.074 . . . . 0.0 112.982 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 144.94 6.81 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.611 1.577 . . . . 0.0 114.132 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.77 163.82 31.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.004 1.322 . . . . 0.0 113.42 -171.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -100.04 147.32 25.75 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.474 1.51 . . . . 0.0 111.74 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 N--CA 1.469 0.475 0 C-N-CA 124.762 1.225 . . . . 0.0 111.124 174.812 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -66.4 -28.2 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -169.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.55 -31.61 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.422 -0.799 . . . . 0.0 111.733 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.47 8.42 5.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.547 1.539 . . . . 0.0 112.917 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.3 -52.48 1.5 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.808 1.643 . . . . 0.0 112.54 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.97 -17.18 21.21 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -170.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -100.4 -42.94 6.41 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.945 0.898 . . . . 0.0 111.617 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -76.46 -24.31 53.88 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.325 -0.859 . . . . 0.0 113.072 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -146.61 -167.65 2.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.12 2.168 . . . . 0.0 110.027 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.97 142.7 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.356 1.062 . . . . 0.0 110.5 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.97 161.78 32.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.081 1.352 . . . . 0.0 111.855 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 p -101.16 163.78 12.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.006 1.322 . . . . 0.0 112.277 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -53.67 -26.12 21.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.704 1.201 . . . . 0.0 114.001 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -73.96 -30.74 62.68 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.082 0.855 . . . . 0.0 111.663 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -73.62 -26.22 60.68 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.544 0.737 . . . . 0.0 111.775 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.05 -44.23 48.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.677 0.791 . . . . 0.0 111.46 172.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.42 -18.9 64.21 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.56 -19.01 45.47 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.899 0.88 . . . . 0.0 113.011 172.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -109.15 10.51 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -107.96 153.53 22.94 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.303 2.241 . . . . 0.0 113.653 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.708 0.289 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.68 148.05 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.491 1.516 . . . . 0.0 111.833 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -141.09 54.01 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.753 2.021 . . . . 0.0 111.359 -170.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -145.75 62.39 1.26 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.75 1.22 . . . . 0.0 113.898 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 52.0 59.75 4.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.372 1.469 . . . . 0.0 113.702 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.41 131.18 35.27 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.39 1.076 . . . . 0.0 109.452 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 m -136.36 145.87 45.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.486 1.115 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.02 -128.23 47.03 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.328 0.49 . . . . 0.0 112.569 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m -53.79 -30.01 42.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.599 1.16 . . . . 0.0 113.655 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -72.05 -32.65 67.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.786 0.835 . . . . 0.0 112.646 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.76 -33.26 40.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.071 0.948 . . . . 0.0 111.082 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.18 -42.75 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.069 0.948 . . . . 0.0 110.507 169.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -59.97 -44.23 94.59 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.202 1.001 . . . . 0.0 111.828 172.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.14 93.44 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.702 -0.624 . . . . 0.0 112.017 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -46.23 82.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.044 -0.41 . . . . 0.0 111.392 175.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.75 -39.05 83.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.06 0.544 . . . . 0.0 112.287 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 tp -69.46 -29.94 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -85.38 -42.62 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.45 1.1 . . . . 0.0 112.666 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -84.48 -36.91 21.94 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 -138.98 46.79 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.97 0.795 . . . . 0.0 112.91 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.75 -2.3 19.85 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.5 -23.25 64.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.33 1.052 . . . . 0.0 113.614 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.77 144.81 1.77 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.555 1.55 . . . . 0.0 113.798 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.23 160.89 38.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -171.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -123.22 74.07 1.21 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.541 1.936 . . . . 0.0 111.633 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 124.663 1.185 . . . . 0.0 112.386 174.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.404 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.0 tt -88.36 -42.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -172.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.01 -31.93 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 121.17 -0.956 . . . . 0.0 112.465 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.81 -9.85 23.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 114.045 171.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -104.4 -54.39 2.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.241 1.416 . . . . 0.0 111.164 171.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.9 -9.52 58.66 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -169.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -101.59 -42.82 6.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.174 0.99 . . . . 0.0 111.144 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.48 -34.57 77.42 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 121.199 -0.938 . . . . 0.0 112.286 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -135.38 -158.33 0.87 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.172 2.189 . . . . 0.0 109.864 173.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.42 147.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.861 1.265 . . . . 0.0 111.509 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -122.8 146.43 47.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.375 1.47 . . . . 0.0 112.923 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -89.66 153.86 20.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.257 1.823 . . . . 0.0 111.325 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.16 -28.8 63.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.17 -27.85 66.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.292 0.637 . . . . 0.0 112.675 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.9 -25.47 43.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.905 1.282 . . . . 0.0 111.873 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.57 -38.77 54.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.456 0.703 . . . . 0.0 111.812 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -59.1 -22.97 61.67 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -60.8 -17.34 48.89 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.832 0.853 . . . . 0.0 113.111 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' HD12 ' A' ' 2' ' ' ILE . 66.2 m-85 -101.55 5.16 41.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.689 1.196 . . . . 0.0 113.341 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.98 156.61 19.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.586 1.554 . . . . 0.0 112.463 169.858 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.864 -0.112 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -119.72 140.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.078 1.351 . . . . 0.0 111.754 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -146.31 44.32 1.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.442 1.097 . . . . 0.0 113.379 -168.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -129.42 71.78 1.45 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.161 0.984 . . . . 0.0 112.716 -170.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 48.76 53.91 11.58 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.261 1.424 . . . . 0.0 113.446 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.468 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.8 mm? -66.07 121.76 15.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.281 1.032 . . . . 0.0 110.656 -173.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 141.47 45.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.89 1.276 . . . . 0.0 111.347 -172.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.26 -124.36 32.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.699 0.666 . . . . 0.0 112.725 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -29.17 57.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.237 1.015 . . . . 0.0 113.704 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -75.79 -30.21 58.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.202 0.91 . . . . 0.0 112.335 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.53 -47.15 61.78 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.593 0.757 . . . . 0.0 109.488 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.59 -42.34 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.31 1.044 . . . . 0.0 111.044 173.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.15 -41.01 97.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.353 1.061 . . . . 0.0 112.484 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.67 77.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.486 1.039 . . . . 0.0 112.319 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -45.12 93.9 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.346 -0.846 . . . . 0.0 111.402 175.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -64.94 -35.8 82.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.145 0.978 . . . . 0.0 112.545 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -66.16 -31.99 73.17 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.237 -0.914 . . . . 0.0 111.767 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.58 -43.57 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.564 1.146 . . . . 0.0 112.68 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.27 -14.6 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 -119.2 17.05 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.578 1.081 . . . . 0.0 113.438 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.34 -12.04 60.42 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -72.6 129.66 38.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.865 0.866 . . . . 0.0 109.992 172.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.16 151.84 49.6 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.362 0.506 . . . . 0.0 111.975 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -138.74 152.5 48.02 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.097 0.959 . . . . 0.0 113.353 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -107.49 59.31 0.62 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.568 1.947 . . . . 0.0 112.522 -169.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 t80 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.673 1.189 . . . . 0.0 112.231 178.055 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 19' ' ' TYR . 14.1 tt -84.18 -36.96 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.69 -36.16 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.053 -1.029 . . . . 0.0 111.974 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 7.6 2.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.295 1.438 . . . . 0.0 114.138 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -127.67 -15.02 5.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.083 1.753 . . . . 0.0 113.987 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -118.57 -22.37 7.55 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.18 -34.37 9.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.466 1.106 . . . . 0.0 112.432 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 -34.68 67.89 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.959 1.303 . . . . 0.0 112.385 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -149.48 160.07 43.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.785 2.434 . . . . 0.0 109.441 171.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 mt -74.38 138.8 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.497 -0.752 . . . . 0.0 111.331 -172.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.17 163.07 17.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.448 . . . . 0.0 113.735 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 t -105.22 156.59 17.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.137 1.775 . . . . 0.0 112.371 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -55.95 -28.64 57.88 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.395 1.478 . . . . 0.0 114.228 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -65.67 -27.25 68.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.485 0.714 . . . . 0.0 112.446 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -81.33 -19.99 41.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.475 . . . . 0.0 112.13 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.5 -34.61 27.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.917 0.887 . . . . 0.0 111.809 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.53 -22.97 57.12 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -59.83 -26.53 65.87 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.521 1.128 . . . . 0.0 113.367 171.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 2' ' ' ILE . 93.5 m-85 -105.31 -9.49 17.6 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.399 1.48 . . . . 0.0 114.006 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -68.73 141.64 55.2 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.157 0.889 . . . . 0.0 111.844 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.431 1.492 . . . . 0.0 112.22 170.338 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.333 0.111 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 m -78.7 118.42 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.38 0.672 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.97 71.61 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.848 1.659 . . . . 0.0 109.781 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -134.91 66.29 1.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.802 1.641 . . . . 0.0 111.496 -173.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 p80 43.05 55.86 4.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.283 1.833 . . . . 0.0 113.87 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.592 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.6 mm? -60.88 124.89 21.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.336 1.454 . . . . 0.0 111.283 -169.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.47 142.42 31.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.734 1.214 . . . . 0.0 110.838 -176.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -123.91 32.14 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.79 0.709 . . . . 0.0 112.701 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.5 p -51.15 -36.06 38.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.925 1.29 . . . . 0.0 113.769 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -73.42 -29.19 62.42 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.739 0.816 . . . . 0.0 112.854 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.99 -47.84 49.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.581 0.752 . . . . 0.0 109.781 173.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.39 -40.84 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.052 0.941 . . . . 0.0 111.24 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.52 -41.53 96.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.139 0.976 . . . . 0.0 112.284 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.57 76.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.974 . . . . 0.0 112.305 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.69 -43.01 94.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.593 -0.692 . . . . 0.0 110.928 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -61.27 -37.34 82.77 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.39 0.995 . . . . 0.0 112.678 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.13 -32.85 74.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.926 0.89 . . . . 0.0 112.01 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.64 -43.95 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.648 1.179 . . . . 0.0 112.694 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 m -84.11 -18.07 38.08 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.37 -126.19 32.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.497 1.046 . . . . 0.0 112.779 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.25 -10.03 59.33 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -91.26 148.22 22.5 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.762 1.225 . . . . 0.0 111.612 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 177.16 33.68 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.226 0.917 . . . . 0.0 114.023 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -157.15 159.93 38.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.392 1.077 . . . . 0.0 113.149 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -89.4 142.92 27.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.74 0.816 . . . . 0.0 111.902 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 125.824 1.65 . . . . 0.0 110.554 172.133 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.1 tt -67.5 -35.92 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.273 1.029 . . . . 0.0 113.301 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.41 -34.43 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.343 1.057 . . . . 0.0 110.973 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -81.33 19.38 0.97 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.762 1.625 . . . . 0.0 113.107 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -128.45 -45.17 1.36 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.095 1.358 . . . . 0.0 113.415 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.51 -15.89 14.34 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -98.12 -27.45 14.19 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.864 0.756 . . . . 0.0 111.704 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p -88.39 -31.08 19.04 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.127 0.971 . . . . 0.0 113.266 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -142.06 -174.82 4.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.924 2.49 . . . . 0.0 110.304 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.4 mm -92.95 124.71 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.099 -1.001 . . . . 0.0 109.216 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -92.96 176.26 6.49 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -176.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -130.05 149.42 51.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.996 1.718 . . . . 0.0 110.25 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.89 -26.27 61.92 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.69 -27.04 65.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.706 0.802 . . . . 0.0 112.767 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.36 -33.48 42.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.404 1.082 . . . . 0.0 111.249 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.22 -32.38 70.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.403 0.681 . . . . 0.0 112.835 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.49 -15.4 49.84 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -57.52 -36.14 71.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.2 1.0 . . . . 0.0 112.095 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -96.39 -7.7 34.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.471 1.108 . . . . 0.0 113.663 -169.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -68.67 148.86 49.81 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.138 0.881 . . . . 0.0 112.919 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.252 1.421 . . . . 0.0 112.433 176.186 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.58 144.07 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.864 1.666 . . . . 0.0 110.705 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -145.96 13.76 1.31 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.949 1.7 . . . . 0.0 114.745 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -74.76 90.5 2.34 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.772 1.229 . . . . 0.0 112.093 -169.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.7 p80 47.43 47.69 16.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.624 1.97 . . . . 0.0 113.592 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.87 127.73 33.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 111.025 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -138.64 145.94 41.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.835 0.854 . . . . 0.0 110.567 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -127.74 43.06 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.771 0.7 . . . . 0.0 112.456 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -53.42 -30.59 41.04 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -71.3 -33.05 69.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.057 0.844 . . . . 0.0 112.945 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.69 -37.17 36.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.51 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.32 -39.99 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.217 1.007 . . . . 0.0 110.977 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.09 -37.21 86.61 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.79 1.236 . . . . 0.0 112.494 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.78 72.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.341 -0.849 . . . . 0.0 112.088 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' B' ' 15' ' ' LEU . 7.2 tp -68.37 -38.51 81.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.64 -0.662 . . . . 0.0 111.691 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -63.95 -37.85 88.92 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.669 -0.645 . . . . 0.0 112.343 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.96 -35.67 81.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.327 -0.858 . . . . 0.0 112.354 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.93 -44.24 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.407 1.083 . . . . 0.0 112.612 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.1 m -89.37 -18.68 26.39 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -174.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.57 -154.25 45.76 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.64 1.114 . . . . 0.0 114.813 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.73 16.61 0.27 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.74 1.616 . . . . 0.0 114.434 -175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -101.77 -15.39 16.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.908 1.683 . . . . 0.0 112.96 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.5 -173.73 55.2 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.526 1.06 . . . . 0.0 115.029 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -154.44 165.43 36.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.736 1.614 . . . . 0.0 112.242 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.29 89.85 3.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.084 1.754 . . . . 0.0 109.544 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 t80 . . . . . 0 CA--C 1.545 0.759 0 O-C-N 121.541 -0.724 . . . . 0.0 111.164 -176.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.52 -34.07 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.03 -34.75 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.273 -0.892 . . . . 0.0 111.874 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.69 -7.05 41.76 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.924 1.29 . . . . 0.0 113.214 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -125.73 -24.18 3.88 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.5 m -112.61 -14.19 13.21 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -112.72 -43.57 3.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.727 1.211 . . . . 0.0 111.774 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -75.23 -23.66 57.59 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.013 0.824 . . . . 0.0 111.622 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -137.3 174.64 10.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.914 2.085 . . . . 0.0 110.068 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -90.89 142.18 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.924 0.89 . . . . 0.0 109.952 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 p -135.18 161.21 36.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.264 1.026 . . . . 0.0 113.194 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -94.62 163.27 13.45 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.076 1.351 . . . . 0.0 113.725 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.9 -27.73 63.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.69 1.196 . . . . 0.0 113.802 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.15 -27.88 61.05 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.18 -0.95 . . . . 0.0 112.046 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -75.4 -25.13 57.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.465 1.106 . . . . 0.0 111.673 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.56 -35.44 60.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.039 0.836 . . . . 0.0 111.896 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.56 -21.29 65.47 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -58.76 -22.51 58.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.922 0.889 . . . . 0.0 112.595 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.95 0.8 24.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.003 1.721 . . . . 0.0 113.825 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.37 158.37 35.22 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.352 0.978 . . . . 0.0 112.242 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.401 2.28 . . . . 0.0 112.784 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.029 -0.034 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.95 139.56 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.349 1.46 . . . . 0.0 112.363 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -141.22 46.9 1.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.781 1.633 . . . . 0.0 111.666 -169.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -131.25 60.04 1.67 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.795 1.638 . . . . 0.0 112.099 -170.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.0 p80 46.65 52.39 11.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.698 1.999 . . . . 0.0 114.397 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.481 HD22 ' H ' ' B' ' 6' ' ' LEU . 2.0 mm? -62.34 131.37 49.06 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.643 1.177 . . . . 0.0 109.396 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.59 146.48 41.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.255 1.022 . . . . 0.0 111.616 -173.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.51 -126.59 41.62 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.532 0.587 . . . . 0.0 112.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.26 -32.01 35.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.622 1.169 . . . . 0.0 113.729 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -73.49 -32.21 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.819 0.736 . . . . 0.0 112.778 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.28 -35.31 55.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.234 0.614 . . . . 0.0 110.953 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.98 -42.2 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.579 1.152 . . . . 0.0 110.865 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.6 -40.8 97.85 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.365 1.066 . . . . 0.0 112.28 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.83 84.07 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.39 85.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.582 0.753 . . . . 0.0 111.387 173.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.26 -38.53 89.65 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.434 0.694 . . . . 0.0 112.345 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.18 -33.06 74.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.348 1.059 . . . . 0.0 112.178 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -86.21 -46.1 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.541 1.136 . . . . 0.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -81.62 -35.38 30.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 -132.02 52.34 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.781 0.705 . . . . 0.0 112.491 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -5.79 25.57 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.67 -19.73 63.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.057 0.943 . . . . 0.0 113.341 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.89 175.53 15.51 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.359 0.981 . . . . 0.0 113.117 -171.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -161.1 170.07 21.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.239 1.016 . . . . 0.0 113.228 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.51 155.94 33.88 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.535 1.534 . . . . 0.0 110.955 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.437 1.095 . . . . 0.0 111.801 -173.281 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -73.7 -39.01 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.4 -30.82 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.255 -0.903 . . . . 0.0 112.616 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.11 -15.39 63.05 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 113.035 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -102.87 -55.39 2.44 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.69 1.596 . . . . 0.0 111.573 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 m -80.56 -28.2 37.3 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -169.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -74.21 -37.61 63.82 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.44 0.563 . . . . 0.0 110.73 171.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -81.95 -42.49 19.36 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.164 1.386 . . . . 0.0 113.43 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -132.39 6.0 4.1 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt 66.97 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.338 1.855 . . . . 0.0 112.992 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -128.49 145.06 51.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.994 1.318 . . . . 0.0 113.068 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.9 p -86.23 155.79 20.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.173 1.789 . . . . 0.0 110.448 168.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.19 -29.32 65.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.084 -1.01 . . . . 0.0 113.365 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.72 -28.93 69.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.596 1.159 . . . . 0.0 113.749 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -94.97 -4.74 46.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -85.03 -33.87 22.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.446 0.699 . . . . 0.0 110.103 167.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -57.53 -22.14 42.51 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.455 1.102 . . . . 0.0 113.722 172.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -57.27 -27.78 62.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.016 1.326 . . . . 0.0 113.307 171.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -104.13 -10.68 17.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.427 1.491 . . . . 0.0 113.776 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.92 152.56 45.47 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.307 0.958 . . . . 0.0 112.32 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.945 1.698 . . . . 0.0 112.582 175.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.31 138.26 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.305 1.442 . . . . 0.0 112.306 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -142.96 62.28 1.4 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.751 1.221 . . . . 0.0 111.148 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -133.41 66.24 1.56 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.075 1.35 . . . . 0.0 112.412 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 48.79 56.88 7.01 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.299 1.44 . . . . 0.0 113.235 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.16 126.13 28.55 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.641 -0.662 . . . . 0.0 109.786 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -146.56 141.47 27.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.005 . . . . 0.0 111.022 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 -131.5 52.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 122.144 -0.348 . . . . 0.0 112.424 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -51.55 -29.61 17.63 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -73.81 -28.17 61.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.263 -0.898 . . . . 0.0 112.856 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -81.18 -34.4 32.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.299 1.04 . . . . 0.0 111.342 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.66 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.066 0.946 . . . . 0.0 109.855 169.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -40.08 92.31 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.886 1.274 . . . . 0.0 112.59 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.32 91.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.191 -0.943 . . . . 0.0 112.312 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.1 -45.31 89.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.958 0.503 . . . . 0.0 111.689 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -56.98 -41.01 77.61 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.084 0.953 . . . . 0.0 112.532 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 tp -66.07 -37.63 86.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.74 1.216 . . . . 0.0 112.313 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.52 -42.43 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -79.37 -16.42 56.29 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.58 51.02 60.41 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.378 0.99 . . . . 0.0 114.333 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 62.81 9.65 3.77 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.17 -16.39 61.43 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.764 -1.21 . . . . 0.0 113.454 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.17 160.27 36.33 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.596 1.569 . . . . 0.0 113.465 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.37 162.52 33.41 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.193 1.397 . . . . 0.0 112.576 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -91.36 140.84 29.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.24 1.016 . . . . 0.0 111.214 169.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 t80 . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 125.135 1.374 . . . . 0.0 110.581 176.871 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 19' ' ' TYR . 9.2 tt -67.99 -36.46 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.847 1.259 . . . . 0.0 113.613 -170.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.14 -35.99 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.287 0.635 . . . . 0.0 111.54 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.17 -17.15 64.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.029 0.932 . . . . 0.0 112.529 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -94.06 -60.63 1.7 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.949 1.3 . . . . 0.0 111.022 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.69 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -171.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -82.17 -33.63 29.41 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.795 0.725 . . . . 0.0 112.139 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.8 m -103.64 -38.59 7.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -127.15 5.07 6.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -168.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 mm 66.41 150.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.361 1.865 . . . . 0.0 112.493 -170.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -138.2 -165.15 1.75 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.622 1.569 . . . . 0.0 111.765 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -145.66 154.68 42.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.186 1.394 . . . . 0.0 111.063 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -60.34 -27.58 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -69.07 -26.17 64.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.954 0.902 . . . . 0.0 112.614 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -81.55 -37.45 27.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.42 1.088 . . . . 0.0 111.17 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.88 -35.68 77.27 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.106 0.866 . . . . 0.0 111.603 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.48 -23.3 64.38 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -65.4 -16.55 63.73 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.234 0.925 . . . . 0.0 112.693 174.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' HD12 ' A' ' 2' ' ' ILE . 84.0 m-85 -107.26 -0.23 22.72 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.058 1.743 . . . . 0.0 113.471 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.9 m -69.72 151.82 45.38 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.283 -0.886 . . . . 0.0 111.884 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.4 t30 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.845 1.658 . . . . 0.0 112.511 175.453 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.78 133.44 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.262 1.025 . . . . 0.0 111.623 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -135.46 16.59 3.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.923 1.289 . . . . 0.0 113.264 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.67 89.25 1.32 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.897 1.679 . . . . 0.0 112.917 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 52.38 54.05 11.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.441 1.496 . . . . 0.0 112.262 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.5 mt -77.65 123.55 26.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.433 0.693 . . . . 0.0 110.41 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 m -135.85 139.89 43.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.335 1.054 . . . . 0.0 110.494 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.29 -122.41 21.19 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.402 0.525 . . . . 0.0 112.497 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.62 -32.78 52.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.834 1.254 . . . . 0.0 113.938 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -74.18 -33.27 63.41 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 112.941 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.414 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.1 tm? -71.1 -47.74 56.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.218 0.607 . . . . 0.0 109.503 172.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.49 -38.57 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.899 1.28 . . . . 0.0 111.9 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -41.68 94.33 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.733 1.213 . . . . 0.0 112.397 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.52 71.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.619 -0.676 . . . . 0.0 112.554 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -45.66 93.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.504 0.722 . . . . 0.0 110.818 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -62.14 -39.52 92.87 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.38 0.672 . . . . 0.0 112.278 173.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.0 tp -67.75 -30.54 70.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.393 0.677 . . . . 0.0 112.239 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.0 -50.02 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.431 1.092 . . . . 0.0 112.159 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.33 -30.13 33.96 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.0 -146.8 48.64 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.267 0.937 . . . . 0.0 113.143 -173.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.02 -2.89 8.52 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.79 -31.52 72.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.401 1.48 . . . . 0.0 113.129 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.77 168.01 44.19 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.947 1.261 . . . . 0.0 113.52 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -159.74 174.12 15.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.773 1.629 . . . . 0.0 112.126 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.13 158.86 34.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.999 1.32 . . . . 0.0 111.724 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 CA--C 1.536 0.441 0 C-N-CA 124.945 1.298 . . . . 0.0 111.41 -177.058 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -66.28 -35.61 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.483 -1.01 . . . . 0.0 113.58 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.82 -30.54 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.299 1.04 . . . . 0.0 112.034 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -69.98 -10.61 59.2 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.872 1.269 . . . . 0.0 112.818 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -113.66 -58.28 2.17 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.014 1.326 . . . . 0.0 112.31 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.69 -21.26 21.72 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -170.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -101.9 -41.34 6.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.355 1.062 . . . . 0.0 111.337 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -80.12 -26.89 39.25 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.748 0.819 . . . . 0.0 111.96 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -135.65 -163.25 1.36 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.589 1.956 . . . . 0.0 109.331 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mm -81.87 137.21 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.797 0.839 . . . . 0.0 111.618 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -77.49 155.63 31.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.858 1.263 . . . . 0.0 114.139 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -140.91 131.17 24.96 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.726 1.21 . . . . 0.0 110.665 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.93 -27.61 68.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.342 1.057 . . . . 0.0 113.159 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -67.34 -25.89 66.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.598 0.759 . . . . 0.0 112.422 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -79.67 -39.6 30.99 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.645 0.778 . . . . 0.0 110.75 169.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.13 -20.82 60.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 172.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -71.61 -28.47 63.81 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.085 -1.01 . . . . 0.0 112.877 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.71 -13.63 31.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.103 1.361 . . . . 0.0 112.072 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.3 152.64 32.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.361 1.864 . . . . 0.0 112.908 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.529 1.531 . . . . 0.0 111.371 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.878 -0.106 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.64 141.01 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.373 1.469 . . . . 0.0 112.324 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -149.59 51.66 0.94 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.847 1.259 . . . . 0.0 112.331 -169.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -135.73 56.74 1.82 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.01 1.324 . . . . 0.0 112.484 -170.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 50.11 65.94 1.29 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.418 1.487 . . . . 0.0 112.9 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.52 123.88 27.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.525 0.73 . . . . 0.0 109.722 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -134.93 147.57 49.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.149 1.38 . . . . 0.0 110.803 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.24 -126.63 42.95 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.984 0.802 . . . . 0.0 112.615 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -54.06 -32.36 54.38 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.667 1.187 . . . . 0.0 113.256 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -71.31 -27.47 63.42 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.906 0.882 . . . . 0.0 112.742 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.95 -37.98 28.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.537 0.735 . . . . 0.0 111.557 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.8 -31.55 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.437 -0.79 . . . . 0.0 112.249 169.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.73 -37.13 85.35 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.557 -0.714 . . . . 0.0 111.297 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.98 70.16 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 111.701 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.74 -42.94 98.38 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.095 0.558 . . . . 0.0 111.179 172.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.48 -36.84 85.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.53 -30.59 71.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.874 0.87 . . . . 0.0 112.162 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.88 -42.01 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.0 1.32 . . . . 0.0 112.496 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -90.8 -29.81 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 -140.87 47.95 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.044 0.831 . . . . 0.0 113.533 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.75 -3.9 31.29 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -61.64 -33.24 73.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.504 1.121 . . . . 0.0 113.708 174.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 155.03 5.07 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.615 1.102 . . . . 0.0 113.255 -170.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -139.26 163.47 32.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.502 1.521 . . . . 0.0 112.211 -171.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -123.49 100.39 6.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.416 1.486 . . . . 0.0 109.138 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 121.451 0.643 . . . . 0.0 111.572 176.393 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.9 tt -72.58 -40.95 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -171.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.18 -29.2 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.237 -0.915 . . . . 0.0 112.068 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.07 -6.18 31.93 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.399 1.479 . . . . 0.0 113.378 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -108.85 -53.04 2.69 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.438 1.495 . . . . 0.0 110.243 169.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.43 -32.01 64.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -76.23 -39.27 54.98 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.66 0.664 . . . . 0.0 111.949 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 p -100.86 -32.2 10.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.998 1.319 . . . . 0.0 114.464 -170.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -131.62 7.25 4.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.09 1.356 . . . . 0.0 114.622 -169.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.13 151.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 127.616 2.366 . . . . 0.0 113.984 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.7 m -128.05 140.79 51.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.873 1.669 . . . . 0.0 112.299 171.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.9 p -91.95 162.87 14.22 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.835 1.254 . . . . 0.0 108.639 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.84 -25.88 63.66 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.84 -29.1 67.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.945 0.898 . . . . 0.0 112.445 174.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -75.95 -36.91 59.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.697 0.799 . . . . 0.0 111.396 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.46 -36.5 79.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.394 0.543 . . . . 0.0 112.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.34 -20.82 31.31 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -67.82 -18.15 64.75 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.507 ' CD1' HD12 ' A' ' 2' ' ' ILE . 67.4 m-85 -112.94 -4.29 13.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.153 1.381 . . . . 0.0 113.799 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.5 m -68.41 149.09 49.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.14 0.882 . . . . 0.0 112.551 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 172.184 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.283 0.087 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.7 125.65 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.617 1.567 . . . . 0.0 111.671 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.42 71.59 1.46 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.004 1.722 . . . . 0.0 109.29 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.16 72.59 1.37 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.463 1.505 . . . . 0.0 113.26 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 51.18 53.82 12.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.199 1.399 . . . . 0.0 113.537 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.454 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.2 mm? -68.52 118.11 11.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.959 -175.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -143.95 145.61 32.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.516 1.126 . . . . 0.0 111.124 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.73 -132.75 52.71 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 123.464 0.554 . . . . 0.0 111.932 -172.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -57.36 -25.17 59.02 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -70.26 -30.29 67.3 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.389 -0.82 . . . . 0.0 112.711 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.58 -43.07 66.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.139 0.576 . . . . 0.0 110.08 174.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.88 -43.26 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.527 1.131 . . . . 0.0 110.817 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.05 -43.61 98.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.019 1.328 . . . . 0.0 112.321 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.42 82.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.359 -0.838 . . . . 0.0 112.236 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.91 -45.15 90.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.428 0.558 . . . . 0.0 111.06 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -59.69 -38.85 82.69 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.034 0.834 . . . . 0.0 112.657 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.72 -38.05 88.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.817 1.247 . . . . 0.0 112.123 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.92 -42.57 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.107 0.963 . . . . 0.0 112.639 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.18 -13.05 60.01 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.2 52.74 45.03 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.292 0.949 . . . . 0.0 112.64 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.321 8.3 pt-20 55.54 12.69 0.82 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.647 2.379 . . . . 0.0 117.062 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -69.09 -18.07 63.94 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.751 1.22 . . . . 0.0 113.879 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.68 168.9 43.56 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.662 1.125 . . . . 0.0 113.101 -170.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -158.48 154.82 27.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.963 1.305 . . . . 0.0 111.721 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -77.77 -50.63 11.98 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 112.859 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.265 7.4 p90 . . . . . 0 N--CA 1.481 1.092 0 C-N-CA 128.675 2.79 . . . . 0.0 115.859 -175.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -59.4 -32.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.435 1.494 . . . . 0.0 114.144 -169.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -64.58 -30.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.293 -0.879 . . . . 0.0 112.069 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.11 6.99 6.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.407 1.483 . . . . 0.0 112.623 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -130.67 -38.99 1.28 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 112.961 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.55 -11.4 17.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -171.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.27 -43.61 4.75 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.772 1.229 . . . . 0.0 111.67 171.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.6 p -67.19 -39.27 86.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.761 0.824 . . . . 0.0 111.684 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -122.44 -156.56 0.7 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.605 2.362 . . . . 0.0 107.63 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -129.23 136.78 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.392 1.077 . . . . 0.0 109.62 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.57 150.52 37.88 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.883 1.273 . . . . 0.0 112.703 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -78.24 156.43 29.74 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.559 1.144 . . . . 0.0 112.427 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.46 -27.97 58.36 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.52 -27.57 68.56 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.0 0.92 . . . . 0.0 113.093 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.94 -16.21 51.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.748 1.619 . . . . 0.0 112.08 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.21 -36.18 35.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.255 1.022 . . . . 0.0 111.673 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.04 -28.18 62.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.98 0.912 . . . . 0.0 113.041 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.05 -26.1 59.78 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.991 1.316 . . . . 0.0 113.66 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -104.27 0.06 28.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 0.0 113.269 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -91.0 151.5 21.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.42 1.488 . . . . 0.0 112.659 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.915 1.286 . . . . 0.0 113.537 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 t80 . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.045 0.926 . . . . 0.0 112.967 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.81 65.23 0.92 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.034 1.334 . . . . 0.0 110.157 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -133.81 45.08 2.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.154 1.381 . . . . 0.0 113.117 -169.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 54.12 82.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.556 1.542 . . . . 0.0 111.471 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.03 110.22 14.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.0 0.92 . . . . 0.0 108.878 -173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.83 139.11 52.32 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.17 -120.68 19.01 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.098 0.856 . . . . 0.0 112.654 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -51.28 -36.99 44.91 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.938 1.295 . . . . 0.0 113.726 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -72.12 -35.69 69.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.072 0.851 . . . . 0.0 112.82 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.6 -46.72 71.79 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.798 0.839 . . . . 0.0 109.944 174.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.56 -42.35 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.777 1.231 . . . . 0.0 111.566 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.67 -41.65 97.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.638 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.26 84.87 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.68 -0.637 . . . . 0.0 112.666 175.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.8 96.07 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.898 -0.501 . . . . 0.0 110.635 175.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.44 -37.55 87.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.46 -29.58 69.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.993 0.917 . . . . 0.0 112.365 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -86.42 -42.54 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.988 1.315 . . . . 0.0 112.268 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.3 t -88.18 -32.29 18.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -155.31 53.41 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.32 0.962 . . . . 0.0 112.936 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.32 5.32 5.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -66.56 -25.63 66.73 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.953 1.301 . . . . 0.0 113.749 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.89 152.14 13.57 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.863 1.22 . . . . 0.0 113.754 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -150.69 168.93 22.87 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 112.932 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -102.59 152.91 20.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.689 1.596 . . . . 0.0 111.808 171.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 p90 . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.75 1.22 . . . . 0.0 110.778 169.462 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.419 HD12 ' CD1' ' A' ' 19' ' ' TYR . 8.7 tt -85.28 -31.56 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.57 -33.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.303 -0.873 . . . . 0.0 111.319 -173.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.26 -7.08 21.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.512 1.125 . . . . 0.0 114.014 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -121.41 -29.25 4.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.204 1.402 . . . . 0.0 113.6 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.0 m -106.8 -20.2 13.41 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -103.04 -43.89 5.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 111.602 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -77.26 -27.2 53.11 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.415 -0.803 . . . . 0.0 112.098 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -134.95 179.84 6.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.969 2.108 . . . . 0.0 110.284 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.98 141.74 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.311 1.044 . . . . 0.0 110.25 172.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -134.5 164.41 27.53 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.533 1.133 . . . . 0.0 113.694 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -105.26 154.98 19.51 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.653 1.981 . . . . 0.0 112.897 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.45 -27.03 55.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.64 -28.84 65.12 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.62 -0.675 . . . . 0.0 112.367 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -75.15 -24.61 57.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.784 1.234 . . . . 0.0 111.456 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.44 -35.37 46.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.326 0.65 . . . . 0.0 111.89 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.62 -20.21 65.49 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.1 -12.59 40.69 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.657 0.783 . . . . 0.0 112.946 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CD1' HD12 ' A' ' 2' ' ' ILE . 58.5 m-85 -112.32 2.41 16.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.171 1.788 . . . . 0.0 113.797 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -75.17 160.65 30.18 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.572 1.078 . . . . 0.0 111.477 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.385 0 C-N-CA 126.097 1.759 . . . . 0.0 111.011 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.0 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -121.2 140.22 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.072 1.349 . . . . 0.0 112.35 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -145.36 39.38 1.18 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.079 1.351 . . . . 0.0 112.231 -169.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -119.41 63.18 0.8 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.282 1.433 . . . . 0.0 111.434 -170.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 43.71 61.2 2.36 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.598 1.959 . . . . 0.0 113.544 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.9 mm? -70.05 123.99 22.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.79 1.236 . . . . 0.0 110.968 -174.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -130.39 143.13 50.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.434 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.44 -123.35 32.4 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.863 0.745 . . . . 0.0 112.766 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -53.02 -34.24 55.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.916 1.286 . . . . 0.0 113.071 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -73.86 -29.8 62.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 112.497 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' B' ' 26' ' ' TYR . 3.2 tm? -71.24 -49.92 38.29 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.222 0.609 . . . . 0.0 109.74 176.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -66.65 -29.25 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.64 -41.63 95.29 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.418 0.687 . . . . 0.0 111.093 169.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.25 66.67 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.568 -0.707 . . . . 0.0 111.977 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -45.2 92.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.548 0.739 . . . . 0.0 110.942 175.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.3 -37.3 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.372 1.069 . . . . 0.0 112.781 173.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.73 -31.38 72.53 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.687 0.795 . . . . 0.0 112.099 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.59 -45.51 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 112.32 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -81.25 -30.11 34.22 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.221 -0.924 . . . . 0.0 113.429 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.79 -120.98 25.12 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 119.178 0.899 . . . . 0.0 111.718 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.73 -3.2 40.01 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -77.21 40.51 0.27 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.634 1.574 . . . . 0.0 114.571 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.76 -68.38 0.04 OUTLIER Glycine 0 CA--C 1.541 1.705 0 C-N-CA 127.984 2.707 . . . . 0.0 116.783 169.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . 0.317 1.9 p90 60.89 159.77 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 131.154 3.782 . . . . 0.0 118.546 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -127.69 148.77 50.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.303 1.841 . . . . 0.0 112.071 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' B' ' 11' ' ' LEU . 38.8 t80 . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 126.197 1.799 . . . . 0.0 111.147 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tt -84.25 -28.99 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.8 140.92 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.865 0.866 . . . . 0.0 109.453 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 55.23 32.31 18.29 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -132.19 -52.67 0.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.993 1.317 . . . . 0.0 111.835 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.7 m -96.82 -4.36 40.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.332 1.053 . . . . 0.0 113.755 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.04 -50.4 4.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.819 1.647 . . . . 0.0 111.715 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 p -80.91 -21.88 40.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.099 1.36 . . . . 0.0 113.441 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -140.9 -174.26 3.94 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.918 2.087 . . . . 0.0 110.279 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.16 142.79 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.882 1.273 . . . . 0.0 111.742 -177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.82 -174.12 2.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.298 1.839 . . . . 0.0 112.845 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -138.12 153.02 49.28 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.915 1.686 . . . . 0.0 108.933 169.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -22.38 61.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.22 -28.17 67.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.142 0.977 . . . . 0.0 113.472 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -92.89 -2.91 55.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -84.74 -41.57 16.07 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 167.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.98 -26.48 48.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.445 171.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -53.66 -29.65 39.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.913 1.285 . . . . 0.0 113.245 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -102.15 -1.05 32.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.159 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -79.17 147.07 32.79 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.163 -0.961 . . . . 0.0 112.855 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.07 1.348 . . . . 0.0 112.083 172.303 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -64.53 112.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 122.078 0.942 . . . . 0.0 113.305 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.74 12.96 2.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.965 1.706 . . . . 0.0 113.257 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -77.12 77.76 3.65 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.685 1.994 . . . . 0.0 113.361 -170.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 53.26 46.53 26.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.032 1.333 . . . . 0.0 113.55 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.04 131.51 40.64 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.275 -0.891 . . . . 0.0 109.769 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.35 147.13 51.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.187 1.395 . . . . 0.0 111.052 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.38 -126.66 42.79 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 123.776 0.703 . . . . 0.0 112.628 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -53.53 -28.65 32.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.534 1.134 . . . . 0.0 113.87 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -75.84 -31.54 59.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.844 0.747 . . . . 0.0 112.432 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.74 -36.93 56.79 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.808 0.843 . . . . 0.0 110.466 176.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.18 -42.15 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.622 1.169 . . . . 0.0 110.257 168.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.76 -38.06 89.71 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.749 1.22 . . . . 0.0 113.043 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.46 87.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.561 1.073 . . . . 0.0 111.362 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.64 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.075 -0.391 . . . . 0.0 111.181 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -62.45 -38.85 91.39 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.097 0.959 . . . . 0.0 112.358 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 tp -67.44 -29.28 68.71 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.559 -0.713 . . . . 0.0 112.242 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.25 -45.3 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.471 1.108 . . . . 0.0 112.642 174.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 t -94.76 -23.65 17.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -168.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.8 -152.66 51.66 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 121.328 -0.858 . . . . 0.0 113.192 -171.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.17 1.05 19.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.86 1.429 . . . . 0.0 114.86 -171.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -74.55 -11.19 60.15 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.98 161.9 24.49 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.99 1.281 . . . . 0.0 113.649 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.83 156.6 36.5 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.149 0.98 . . . . 0.0 113.075 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -90.13 41.27 1.04 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 113.617 -169.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 171.846 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.33 -40.47 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -171.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.19 -33.0 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.325 -0.86 . . . . 0.0 111.656 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.8 -12.93 58.08 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.305 1.442 . . . . 0.0 112.946 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -109.68 -40.62 4.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.633 1.173 . . . . 0.0 113.438 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -95.87 -17.95 20.72 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -115.77 -41.7 3.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.302 1.041 . . . . 0.0 112.648 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -74.22 -24.97 59.41 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.408 -0.808 . . . . 0.0 111.452 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -134.14 -163.08 1.32 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.405 2.282 . . . . 0.0 108.617 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mt -115.11 137.6 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.888 1.275 . . . . 0.0 109.519 171.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -120.86 159.61 25.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.797 1.239 . . . . 0.0 113.543 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -94.81 155.19 16.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.863 1.665 . . . . 0.0 112.15 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.74 -28.92 37.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.197 1.399 . . . . 0.0 114.44 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -63.64 -28.73 70.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 112.814 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -78.97 -23.92 44.21 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.6 1.56 . . . . 0.0 111.724 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.81 -38.27 46.79 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.469 1.108 . . . . 0.0 111.881 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.29 -25.71 59.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.71 -20.26 63.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.515 1.126 . . . . 0.0 113.697 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.26 2.5 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.509 1.524 . . . . 0.0 113.095 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.55 140.03 30.13 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.762 1.625 . . . . 0.0 112.676 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 128.72 2.808 . . . . 0.0 115.226 171.612 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.74 139.43 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.744 1.618 . . . . 0.0 111.702 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -142.66 56.87 1.43 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.089 1.756 . . . . 0.0 111.276 -169.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -133.58 59.55 1.73 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.552 1.541 . . . . 0.0 113.04 -169.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 48.64 56.53 7.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.396 1.478 . . . . 0.0 113.549 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.403 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.9 mm? -66.83 121.21 14.97 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.095 -1.003 . . . . 0.0 109.665 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.59 144.56 37.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.897 1.279 . . . . 0.0 111.34 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.63 39.81 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.346 0.498 . . . . 0.0 112.591 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 p -51.69 -33.11 32.61 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.959 1.303 . . . . 0.0 113.9 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -75.1 -28.17 60.14 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.572 -0.705 . . . . 0.0 112.509 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.55 -34.61 46.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.389 0.676 . . . . 0.0 110.938 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.61 -43.94 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.178 0.991 . . . . 0.0 110.276 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.69 -40.94 98.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.197 0.999 . . . . 0.0 111.861 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.83 -37.4 81.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.992 0.815 . . . . 0.0 112.803 175.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -41.46 95.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.37 -0.831 . . . . 0.0 111.235 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.92 -36.57 84.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.07 -33.17 73.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.024 0.93 . . . . 0.0 112.2 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -90.4 -41.2 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.981 1.312 . . . . 0.0 113.085 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -98.55 -23.38 15.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.082 1.353 . . . . 0.0 114.622 -170.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.38 -142.24 47.88 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.317 -0.864 . . . . 0.0 113.183 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.04 0.5 15.79 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.58 -4.06 46.91 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -172.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 146.47 2.84 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.509 1.528 . . . . 0.0 113.883 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -147.01 159.01 44.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.986 0.915 . . . . 0.0 112.972 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -127.03 48.7 2.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.774 1.63 . . . . 0.0 111.771 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 124.122 0.969 . . . . 0.0 111.69 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 19' ' ' TYR . 9.7 tp -70.16 -27.62 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.06 -35.92 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.919 -1.113 . . . . 0.0 111.667 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.89 15.02 1.54 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.929 1.292 . . . . 0.0 112.972 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -133.47 -31.4 1.22 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.656 1.582 . . . . 0.0 113.122 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -113.07 -18.85 12.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.692 1.597 . . . . 0.0 114.809 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.0 t -100.08 -30.63 11.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.528 1.058 . . . . 0.0 112.334 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -79.16 -31.58 44.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.769 1.228 . . . . 0.0 112.886 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -150.98 173.77 13.91 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.294 2.238 . . . . 0.0 109.712 172.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -76.6 142.12 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.442 -0.786 . . . . 0.0 111.023 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -126.76 162.78 25.03 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.51 1.524 . . . . 0.0 112.568 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.1 p -107.6 155.78 19.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.369 1.867 . . . . 0.0 112.226 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.5 -29.82 38.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.122 1.369 . . . . 0.0 114.223 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -64.96 -25.6 67.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.141 0.976 . . . . 0.0 112.926 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -78.27 -19.12 54.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.141 1.376 . . . . 0.0 112.182 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.98 -27.68 28.27 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.965 0.906 . . . . 0.0 111.902 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.75 -26.45 67.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.537 0.735 . . . . 0.0 112.591 174.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.24 -24.12 66.13 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.083 1.353 . . . . 0.0 113.4 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE1' HD13 ' A' ' 2' ' ' ILE . 94.7 m-85 -103.97 -3.47 24.63 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.955 1.702 . . . . 0.0 113.305 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.39 150.4 25.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.622 1.569 . . . . 0.0 111.833 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.571 1.148 . . . . 0.0 112.774 173.01 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.849 -0.056 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.74 131.61 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.19 1.396 . . . . 0.0 112.511 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.4 49.63 1.99 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.215 1.406 . . . . 0.0 110.529 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -133.64 71.71 1.47 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.032 1.333 . . . . 0.0 113.416 -169.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 43.66 52.61 6.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.631 1.972 . . . . 0.0 113.799 170.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.47 131.94 51.8 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.183 1.393 . . . . 0.0 111.175 -172.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 141.59 27.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.238 0.615 . . . . 0.0 111.202 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.21 -125.13 35.11 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 123.817 0.723 . . . . 0.0 112.132 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -51.79 -35.8 45.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.878 1.271 . . . . 0.0 114.024 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -70.43 -30.74 67.67 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.5 tp -82.99 -42.78 17.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.462 0.705 . . . . 0.0 110.572 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.03 -40.38 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.336 1.054 . . . . 0.0 111.54 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -37.36 81.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.847 1.259 . . . . 0.0 112.536 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.29 -39.28 65.46 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.394 -0.816 . . . . 0.0 112.81 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.9 -42.01 98.58 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.67 -0.644 . . . . 0.0 110.886 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.98 -39.36 94.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -33.9 77.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.481 0.712 . . . . 0.0 112.465 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -85.74 -43.34 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.621 1.168 . . . . 0.0 112.585 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -91.58 -27.2 18.32 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.94 -139.49 48.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.413 1.006 . . . . 0.0 113.646 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.38 -3.29 26.38 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -67.69 -28.71 67.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.111 0.964 . . . . 0.0 113.167 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.94 6.24 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.087 1.327 . . . . 0.0 113.565 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -140.26 165.4 27.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.164 1.386 . . . . 0.0 112.55 -172.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -128.56 112.74 14.63 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.101 1.36 . . . . 0.0 110.422 -173.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 124.187 0.995 . . . . 0.0 113.601 -173.739 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 CA-C-O 121.218 0.343 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 19' ' ' TYR . 8.2 tp -69.51 -38.85 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.389 1.075 . . . . 0.0 113.29 -173.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.72 -31.63 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.322 -0.861 . . . . 0.0 112.005 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.36 -7.62 32.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.296 1.438 . . . . 0.0 113.078 173.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.83 -57.97 1.97 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.845 1.658 . . . . 0.0 110.388 170.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.67 55.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.3 -40.49 7.9 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.743 0.817 . . . . 0.0 111.95 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -68.01 -29.52 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.139 0.976 . . . . 0.0 112.266 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -133.52 -126.63 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.175 1.39 . . . . 0.0 109.743 169.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mt -139.92 142.72 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.133 1.773 . . . . 0.0 107.888 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.06 152.87 52.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.699 0.8 . . . . 0.0 112.803 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.7 p -100.21 169.03 9.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.153 1.781 . . . . 0.0 113.161 -174.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.84 -27.89 32.46 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -72.18 -28.24 63.09 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.817 0.847 . . . . 0.0 112.277 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -81.49 -25.31 36.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.59 1.156 . . . . 0.0 111.916 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -74.4 -39.97 62.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.874 0.761 . . . . 0.0 112.147 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.26 -18.22 60.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.03 -20.2 50.92 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.681 0.792 . . . . 0.0 112.708 170.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.477 ' CE1' HD13 ' A' ' 2' ' ' ILE . 95.4 m-85 -106.8 13.36 27.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.611 1.164 . . . . 0.0 113.513 -175.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.54 163.96 18.0 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 C-N-CA 124.935 1.294 . . . . 0.0 111.29 169.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.3 m -68.04 122.74 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.1 0.96 . . . . 0.0 113.295 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -137.25 66.4 1.46 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.12 1.768 . . . . 0.0 109.226 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -139.0 60.55 1.59 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.651 1.181 . . . . 0.0 113.017 -169.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 48.81 49.36 19.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.21 1.404 . . . . 0.0 113.823 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.8 122.54 15.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.338 1.055 . . . . 0.0 111.397 -170.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.79 142.9 38.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.139 0.976 . . . . 0.0 111.179 -176.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.39 -124.74 26.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.872 0.749 . . . . 0.0 112.351 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -53.93 -31.4 50.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.981 1.312 . . . . 0.0 113.769 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.72 -34.86 67.37 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 112.577 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.15 -44.37 65.67 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.4 -41.89 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.015 0.926 . . . . 0.0 111.718 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.62 -41.73 91.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.789 1.236 . . . . 0.0 111.699 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.37 -36.98 71.65 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -42.45 98.43 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.307 -0.87 . . . . 0.0 110.745 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.63 -33.5 75.09 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.23 -30.69 70.67 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.125 -0.984 . . . . 0.0 112.112 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.38 -44.5 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.607 1.163 . . . . 0.0 112.497 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.3 m -108.53 -18.03 13.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -169.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.36 -131.11 48.64 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.62 1.105 . . . . 0.0 113.772 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.85 -2.54 27.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -67.75 -28.05 67.3 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.445 1.021 . . . . 0.0 113.011 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.54 153.46 15.23 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.015 1.293 . . . . 0.0 113.764 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -154.28 170.13 22.02 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.325 1.45 . . . . 0.0 113.045 -172.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -115.95 153.73 31.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.315 1.846 . . . . 0.0 111.946 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 125.5 1.52 . . . . 0.0 110.581 169.436 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 19' ' ' TYR . 13.3 tt -76.05 -35.47 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -172.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.23 -29.36 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 120.91 -1.119 . . . . 0.0 111.744 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.67 5.07 5.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.482 1.913 . . . . 0.0 113.452 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -128.09 -43.64 1.48 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 112.234 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.31 -6.24 23.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -169.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.1 -37.93 5.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.743 1.217 . . . . 0.0 111.851 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 p -71.85 -30.7 65.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.72 172.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -138.19 -163.62 1.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.5 2.32 . . . . 0.0 109.242 171.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.33 141.81 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.971 1.309 . . . . 0.0 111.629 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.0 m -122.09 147.31 46.28 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.307 1.843 . . . . 0.0 112.675 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -90.07 164.24 14.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.072 1.349 . . . . 0.0 110.508 169.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.27 -26.31 60.63 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -68.76 -29.46 67.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.947 0.899 . . . . 0.0 112.563 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -77.22 -27.11 53.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.92 0.888 . . . . 0.0 111.878 171.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.55 -33.01 54.23 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.749 0.704 . . . . 0.0 112.321 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.86 -25.44 65.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -58.95 -22.81 60.78 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.295 1.038 . . . . 0.0 112.963 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 2' ' ' ILE . 88.1 m-85 -105.25 -3.84 22.38 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.764 1.625 . . . . 0.0 113.811 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.33 147.25 49.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.922 0.783 . . . . 0.0 111.276 169.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 125.825 1.65 . . . . 0.0 111.673 172.443 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.871 -0.109 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.85 136.89 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 0.0 111.736 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 65.46 0.91 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.493 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.24 -53.86 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -178.45 51.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.154 2.182 . . . . 0.0 110.527 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.28 120.04 18.35 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.486 -1.384 . . . . 0.0 111.514 -169.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.45 143.32 39.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 111.539 -175.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.41 -123.73 32.49 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.773 0.701 . . . . 0.0 112.399 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.44 -33.51 44.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.88 1.272 . . . . 0.0 113.294 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -76.99 -28.78 55.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.995 0.918 . . . . 0.0 112.477 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 11' ' ' LEU . 3.1 tm? -69.18 -50.79 44.37 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.526 0.73 . . . . 0.0 109.726 173.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.24 -30.18 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.48 -39.88 92.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.551 0.74 . . . . 0.0 111.617 169.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.69 -35.28 67.62 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.68 -0.637 . . . . 0.0 112.102 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.53 88.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.139 174.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -60.68 -40.1 90.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.354 1.062 . . . . 0.0 112.367 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.05 -29.27 70.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.743 0.817 . . . . 0.0 112.166 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.31 -45.93 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.599 1.16 . . . . 0.0 112.456 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.79 -20.35 46.39 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.385 0.993 . . . . 0.0 113.584 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.64 -117.5 11.17 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 112.436 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.62 -11.9 60.1 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -86.42 150.23 24.45 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.655 1.182 . . . . 0.0 112.025 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.3 173.4 46.14 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.207 0.908 . . . . 0.0 113.74 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -151.46 165.01 35.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.908 1.283 . . . . 0.0 112.17 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -115.41 148.29 39.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.787 1.235 . . . . 0.0 112.42 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.548 0.897 0 C-N-CA 126.61 1.964 . . . . 0.0 110.917 -175.448 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.3 tt -79.15 -31.74 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.325 1.05 . . . . 0.0 113.302 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.81 -33.75 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.337 -0.852 . . . . 0.0 111.409 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.78 8.48 2.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.319 1.848 . . . . 0.0 113.737 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -128.16 -48.79 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.509 1.524 . . . . 0.0 111.793 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.5 m -92.96 -20.14 20.91 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -171.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -106.77 -37.22 6.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.39 1.076 . . . . 0.0 112.046 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -78.81 -23.29 45.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.673 0.789 . . . . 0.0 112.853 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 t -139.3 -158.9 0.9 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.53 2.332 . . . . 0.0 108.704 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.81 137.5 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.088 1.355 . . . . 0.0 109.855 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.4 165.37 16.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.244 1.417 . . . . 0.0 112.984 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -106.22 152.9 22.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.07 1.748 . . . . 0.0 112.609 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -26.62 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.683 1.193 . . . . 0.0 114.131 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.39 -26.36 66.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.855 0.862 . . . . 0.0 112.793 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -75.05 -35.91 61.85 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.469 1.108 . . . . 0.0 111.109 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.99 -32.23 73.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.296 0.639 . . . . 0.0 112.274 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.91 -22.87 62.97 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.14 -21.57 64.91 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.307 -0.871 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -100.76 -7.04 24.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.198 1.799 . . . . 0.0 113.243 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -77.22 146.11 37.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.577 1.151 . . . . 0.0 110.792 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.768 1.227 . . . . 0.0 114.185 -175.87 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.054 -0.022 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 m -121.07 135.35 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.456 1.502 . . . . 0.0 112.372 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -140.38 56.23 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.878 1.671 . . . . 0.0 111.149 -168.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -129.92 59.93 1.61 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.318 1.447 . . . . 0.0 111.182 -170.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.4 p80 42.73 60.4 2.45 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.549 1.94 . . . . 0.0 113.165 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.47 128.27 35.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.762 1.625 . . . . 0.0 111.369 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -135.65 146.33 47.72 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.078 0.951 . . . . 0.0 110.866 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.6 -123.98 30.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.736 0.684 . . . . 0.0 112.648 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -50.16 -36.77 31.6 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.556 1.543 . . . . 0.0 113.545 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -71.5 -31.64 67.33 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.774 0.83 . . . . 0.0 112.964 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.96 -39.45 34.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.063 0.945 . . . . 0.0 110.741 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.86 -31.65 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.97 -37.14 81.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.945 0.898 . . . . 0.0 111.887 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.18 -32.87 61.36 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.603 -0.686 . . . . 0.0 112.387 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -40.55 96.59 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.591 -0.693 . . . . 0.0 111.168 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -64.49 -36.4 84.07 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.136 0.974 . . . . 0.0 112.639 172.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.36 -34.4 78.24 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.156 -0.965 . . . . 0.0 112.496 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.15 -44.88 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.869 1.268 . . . . 0.0 112.703 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.0 t -90.8 -12.68 35.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.01 1.324 . . . . 0.0 113.846 -174.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.91 -148.46 48.0 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.301 0.953 . . . . 0.0 112.637 -173.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.54 -1.22 15.12 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -77.76 149.76 34.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.115 1.366 . . . . 0.0 112.178 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.55 73.71 1.37 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.116 1.341 . . . . 0.0 115.024 -172.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -61.33 162.0 8.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.28 1.032 . . . . 0.0 112.231 169.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -111.22 150.74 29.13 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.42 1.088 . . . . 0.0 112.278 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 125.249 1.42 . . . . 0.0 110.781 -175.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -75.54 -33.36 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -169.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.29 -28.54 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.75 -1.219 . . . . 0.0 111.798 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -73.09 11.57 0.69 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.099 1.76 . . . . 0.0 113.935 169.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -129.11 -46.04 1.24 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.964 1.706 . . . . 0.0 110.909 169.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -81.78 -23.33 36.64 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -111.02 -39.39 4.8 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.525 1.057 . . . . 0.0 113.305 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -72.33 -24.09 61.25 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.839 0.856 . . . . 0.0 112.494 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -133.95 -154.95 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.644 2.378 . . . . 0.0 108.566 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.97 134.2 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.872 1.269 . . . . 0.0 109.628 172.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.7 164.44 13.03 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.021 1.328 . . . . 0.0 112.965 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -113.9 153.2 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.934 1.694 . . . . 0.0 112.234 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -28.6 63.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.529 1.132 . . . . 0.0 113.929 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -68.04 -25.64 65.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.603 0.761 . . . . 0.0 112.727 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -80.89 -36.72 30.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.042 1.337 . . . . 0.0 111.072 170.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.82 -33.73 75.83 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.646 0.657 . . . . 0.0 112.365 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.58 -16.73 41.01 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 173.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -69.6 -21.41 63.59 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.449 1.022 . . . . 0.0 112.765 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -105.09 -11.77 16.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.339 1.456 . . . . 0.0 113.407 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.15 147.95 51.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.62 0.768 . . . . 0.0 112.294 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.432 1.493 . . . . 0.0 112.582 177.119 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.785 -0.15 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.77 135.39 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.791 1.637 . . . . 0.0 111.416 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -135.52 56.77 1.82 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.677 1.991 . . . . 0.0 111.285 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -126.81 64.58 1.28 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.306 1.443 . . . . 0.0 111.995 -169.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 p80 42.82 55.6 4.28 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.58 1.952 . . . . 0.0 113.242 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.54 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.8 mm? -60.07 118.65 6.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.865 1.666 . . . . 0.0 112.0 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.89 143.43 42.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.132 1.373 . . . . 0.0 111.277 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.09 -126.29 38.3 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.824 0.726 . . . . 0.0 112.483 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.37 -27.51 47.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.495 1.118 . . . . 0.0 113.672 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -75.81 -29.08 58.57 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.107 0.867 . . . . 0.0 112.587 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.16 -43.38 61.61 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.662 0.785 . . . . 0.0 109.986 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.29 -43.1 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 110.706 172.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.14 -41.6 97.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.656 1.182 . . . . 0.0 112.351 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -41.29 77.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 112.623 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.53 -40.66 96.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.49 -0.756 . . . . 0.0 111.437 173.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.66 -37.12 86.12 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.46 1.027 . . . . 0.0 112.867 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.39 -33.69 76.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.086 0.955 . . . . 0.0 112.259 177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -87.47 -44.75 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.243 1.017 . . . . 0.0 112.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -88.43 -19.62 26.31 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -173.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.97 -146.17 49.07 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.689 1.138 . . . . 0.0 114.172 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -57.61 -26.47 61.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.48 1.512 . . . . 0.0 114.472 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.08 -20.51 62.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.551 1.14 . . . . 0.0 113.408 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.85 -175.18 54.58 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.685 1.136 . . . . 0.0 114.351 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -157.82 163.36 38.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.061 1.344 . . . . 0.0 112.746 -170.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -90.01 145.1 25.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.391 1.476 . . . . 0.0 111.222 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 t80 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 125.194 1.397 . . . . 0.0 109.941 171.366 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.97 -39.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.67 -30.68 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.532 -0.73 . . . . 0.0 112.449 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.74 -14.83 63.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.668 1.187 . . . . 0.0 113.156 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -102.39 -54.47 2.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.109 1.363 . . . . 0.0 111.786 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.1 -28.32 39.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -168.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.98 -30.72 28.0 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.75 0.705 . . . . 0.0 111.698 173.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 m -87.54 -41.6 13.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.762 1.225 . . . . 0.0 113.406 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -130.25 3.56 4.74 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt 67.71 148.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.054 2.142 . . . . 0.0 113.349 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -132.63 141.04 48.46 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.651 1.58 . . . . 0.0 113.241 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.1 p -86.81 165.09 16.26 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.242 1.417 . . . . 0.0 109.843 168.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.9 -28.53 37.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -70.41 -29.97 66.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.795 0.838 . . . . 0.0 112.545 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -74.72 -36.11 62.68 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.273 0.629 . . . . 0.0 111.164 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.66 -36.92 79.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.43 0.692 . . . . 0.0 111.843 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.72 -18.28 53.43 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.54 -16.68 63.92 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.248 -0.907 . . . . 0.0 113.208 175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -115.38 3.3 14.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.521 1.529 . . . . 0.0 114.301 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.6 m -74.5 149.25 40.36 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.151 -0.968 . . . . 0.0 112.688 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.263 0.7 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.743 2.417 . . . . 0.0 115.245 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 p90 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.8 163.07 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.556 . . . . 0.0 111.639 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -111.05 58.87 0.61 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.198 1.399 . . . . 0.0 109.347 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -122.58 47.38 1.95 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.66 1.584 . . . . 0.0 114.109 -169.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 p80 44.87 52.0 8.27 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.082 1.753 . . . . 0.0 114.295 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.478 HD22 ' H ' ' B' ' 6' ' ' LEU . 2.1 mm? -65.16 135.94 56.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.904 1.282 . . . . 0.0 110.508 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.51 140.54 33.5 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.66 1.184 . . . . 0.0 111.593 -173.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.98 -121.29 18.2 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.866 0.746 . . . . 0.0 112.853 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -51.63 -37.07 48.51 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.355 1.462 . . . . 0.0 113.306 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -73.73 -29.56 62.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.572 0.749 . . . . 0.0 112.585 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.94 -43.84 42.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.425 0.69 . . . . 0.0 110.788 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 m -68.06 -31.82 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.65 -39.21 90.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.409 0.683 . . . . 0.0 111.758 171.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 -38.21 63.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.16 0.584 . . . . 0.0 111.844 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 tp -65.25 -43.3 91.81 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.694 1.198 . . . . 0.0 111.012 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.27 -39.74 93.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.812 0.845 . . . . 0.0 112.368 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.62 -28.3 66.78 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.663 -0.648 . . . . 0.0 112.375 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -84.24 -44.47 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.164 0.985 . . . . 0.0 112.165 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.03 -23.65 38.46 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.65 -148.65 47.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.106 1.336 . . . . 0.0 114.249 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.42 -7.13 17.38 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -80.12 -8.85 59.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.011 1.324 . . . . 0.0 113.578 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.58 175.34 40.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.095 1.331 . . . . 0.0 114.589 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -153.27 163.52 39.76 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.833 1.253 . . . . 0.0 112.823 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -108.14 150.49 27.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.739 1.616 . . . . 0.0 110.689 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 t80 . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 0.0 110.789 177.227 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.589 HD13 ' CE1' ' A' ' 19' ' ' TYR . 8.3 tp -70.71 -33.47 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.08 0.952 . . . . 0.0 112.955 -174.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.88 -30.74 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.949 -1.094 . . . . 0.0 112.167 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.71 7.65 3.65 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.909 1.684 . . . . 0.0 113.01 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -128.39 -43.08 1.46 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.026 1.73 . . . . 0.0 112.638 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -100.68 -12.98 18.72 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -108.43 -38.91 5.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.103 0.961 . . . . 0.0 112.163 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 p -73.85 -29.56 62.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.44 -0.788 . . . . 0.0 112.428 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -143.46 -177.43 5.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.759 2.424 . . . . 0.0 110.512 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.0 mm -86.38 140.57 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.69 0.796 . . . . 0.0 109.204 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.04 -157.73 0.75 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.952 1.301 . . . . 0.0 113.04 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 t -142.83 150.59 40.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.736 1.615 . . . . 0.0 111.67 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -57.74 -27.58 63.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.723 1.209 . . . . 0.0 113.73 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -73.72 -27.29 61.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.392 -0.818 . . . . 0.0 112.43 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -79.69 -19.47 48.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.013 0.925 . . . . 0.0 111.942 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.47 -41.87 45.65 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.1 0.864 . . . . 0.0 110.502 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.04 -19.65 63.11 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.508 -1.37 . . . . 0.0 114.042 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -56.58 -24.8 49.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.013 0.925 . . . . 0.0 113.408 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.589 ' CE1' HD13 ' A' ' 2' ' ' ILE . 84.9 m-85 -102.25 -3.03 27.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.276 1.43 . . . . 0.0 113.436 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 t -91.12 150.71 21.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.743 1.617 . . . . 0.0 111.98 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t30 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.694 1.998 . . . . 0.0 112.846 178.146 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.885 -0.043 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -75.89 117.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.02 0.928 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -136.04 11.56 3.34 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.947 1.299 . . . . 0.0 113.194 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -79.36 76.02 5.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.551 1.94 . . . . 0.0 113.507 -170.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 54.32 37.51 27.61 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.026 1.33 . . . . 0.0 114.305 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.49 133.25 50.86 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.32 -0.862 . . . . 0.0 108.964 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.4 147.03 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.285 1.034 . . . . 0.0 111.55 -173.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 -127.6 45.3 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.418 0.532 . . . . 0.0 112.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -52.18 -33.36 40.33 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.637 1.175 . . . . 0.0 113.513 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -71.91 -31.89 66.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.371 0.669 . . . . 0.0 112.765 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.93 -39.75 41.81 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.964 0.506 . . . . 0.0 110.787 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.67 -40.84 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.781 0.832 . . . . 0.0 110.877 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -64.18 -40.76 96.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.726 1.21 . . . . 0.0 112.927 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -38.94 77.99 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.454 1.025 . . . . 0.0 111.971 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.96 -39.57 87.28 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 110.995 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -64.24 -42.07 96.69 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.179 0.992 . . . . 0.0 112.452 169.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.1 tp -68.25 -30.32 69.33 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.904 0.775 . . . . 0.0 112.158 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.3 t -78.39 -46.84 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.28 1.032 . . . . 0.0 111.997 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.59 -33.79 47.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -171.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.54 -143.44 48.07 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.606 1.098 . . . . 0.0 112.972 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -74.67 -0.11 16.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.58 -33.91 77.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.384 1.074 . . . . 0.0 112.982 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.51 144.94 6.81 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.611 1.577 . . . . 0.0 114.132 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.77 163.82 31.86 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.004 1.322 . . . . 0.0 113.42 -171.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -100.04 147.32 25.75 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.474 1.51 . . . . 0.0 111.74 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.37 145.68 37.44 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.762 1.225 . . . . 0.0 111.124 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -150.49 152.69 34.6 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.361 1.064 . . . . 0.0 112.276 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -140.35 134.3 15.34 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 126.692 1.997 . . . . 0.0 110.496 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.34 146.72 96.01 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.492 2.794 . . . . 0.0 113.581 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.877 1.671 . . . . 0.0 110.841 178.72 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -66.4 -28.2 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -169.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.55 -31.61 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.422 -0.799 . . . . 0.0 111.733 173.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -78.47 8.42 5.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.547 1.539 . . . . 0.0 112.917 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.3 -52.48 1.5 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.808 1.643 . . . . 0.0 112.54 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.97 -17.18 21.21 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -170.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -100.4 -42.94 6.41 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.945 0.898 . . . . 0.0 111.617 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -76.46 -24.31 53.88 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.325 -0.859 . . . . 0.0 113.072 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -146.61 -167.65 2.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.12 2.168 . . . . 0.0 110.027 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.97 142.7 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.356 1.062 . . . . 0.0 110.5 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.97 161.78 32.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.081 1.352 . . . . 0.0 111.855 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 p -101.16 163.78 12.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.006 1.322 . . . . 0.0 112.277 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -53.67 -26.12 21.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.704 1.201 . . . . 0.0 114.001 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -73.96 -30.74 62.68 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.082 0.855 . . . . 0.0 111.663 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -73.62 -26.22 60.68 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.544 0.737 . . . . 0.0 111.775 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.05 -44.23 48.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.677 0.791 . . . . 0.0 111.46 172.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.42 -18.9 64.21 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.56 -19.01 45.47 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.899 0.88 . . . . 0.0 113.011 172.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -109.15 10.51 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.046 1.338 . . . . 0.0 113.146 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -107.96 153.53 22.94 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 -175.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.248 0 C-N-CA 127.303 2.241 . . . . 0.0 113.653 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.708 0.289 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.68 148.05 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.491 1.516 . . . . 0.0 111.833 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -141.09 54.01 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.753 2.021 . . . . 0.0 111.359 -170.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -145.75 62.39 1.26 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.75 1.22 . . . . 0.0 113.898 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 52.0 59.75 4.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.372 1.469 . . . . 0.0 113.702 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.41 131.18 35.27 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.39 1.076 . . . . 0.0 109.452 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 m -136.36 145.87 45.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.486 1.115 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.02 -128.23 47.03 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.328 0.49 . . . . 0.0 112.569 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m -53.79 -30.01 42.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.599 1.16 . . . . 0.0 113.655 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -72.05 -32.65 67.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.786 0.835 . . . . 0.0 112.646 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.76 -33.26 40.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.071 0.948 . . . . 0.0 111.082 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.18 -42.75 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.069 0.948 . . . . 0.0 110.507 169.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -59.97 -44.23 94.59 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.202 1.001 . . . . 0.0 111.828 172.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.14 93.44 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.702 -0.624 . . . . 0.0 112.017 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -46.23 82.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.044 -0.41 . . . . 0.0 111.392 175.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.75 -39.05 83.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.06 0.544 . . . . 0.0 112.287 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 tp -69.46 -29.94 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -85.38 -42.62 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.45 1.1 . . . . 0.0 112.666 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -84.48 -36.91 21.94 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 -138.98 46.79 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.97 0.795 . . . . 0.0 112.91 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.75 -2.3 19.85 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.5 -23.25 64.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.33 1.052 . . . . 0.0 113.614 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.77 144.81 1.77 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.555 1.55 . . . . 0.0 113.798 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.23 160.89 38.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -171.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -123.22 74.07 1.21 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.541 1.936 . . . . 0.0 111.633 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -61.26 148.62 40.45 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.663 1.185 . . . . 0.0 112.386 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -137.91 137.45 38.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.806 1.242 . . . . 0.0 113.6 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -149.2 142.34 15.91 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 126.478 1.911 . . . . 0.0 110.049 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -58.87 154.27 45.27 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.371 2.714 . . . . 0.0 114.079 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.152 1.781 . . . . 0.0 113.278 -178.395 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.404 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.0 tt -88.36 -42.36 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -172.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.01 -31.93 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 121.17 -0.956 . . . . 0.0 112.465 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.81 -9.85 23.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 114.045 171.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -104.4 -54.39 2.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.241 1.416 . . . . 0.0 111.164 171.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.9 -9.52 58.66 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -169.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -101.59 -42.82 6.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.174 0.99 . . . . 0.0 111.144 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.48 -34.57 77.42 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 121.199 -0.938 . . . . 0.0 112.286 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -135.38 -158.33 0.87 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.172 2.189 . . . . 0.0 109.864 173.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.42 147.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.861 1.265 . . . . 0.0 111.509 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -122.8 146.43 47.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.375 1.47 . . . . 0.0 112.923 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 t -89.66 153.86 20.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.257 1.823 . . . . 0.0 111.325 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.16 -28.8 63.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.17 -27.85 66.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.292 0.637 . . . . 0.0 112.675 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.9 -25.47 43.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.905 1.282 . . . . 0.0 111.873 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.57 -38.77 54.4 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.456 0.703 . . . . 0.0 111.812 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -59.1 -22.97 61.67 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -60.8 -17.34 48.89 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.832 0.853 . . . . 0.0 113.111 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CD1' HD12 ' A' ' 2' ' ' ILE . 66.2 m-85 -101.55 5.16 41.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.689 1.196 . . . . 0.0 113.341 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.98 156.61 19.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.586 1.554 . . . . 0.0 112.463 169.858 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.864 -0.112 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -119.72 140.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.078 1.351 . . . . 0.0 111.754 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -146.31 44.32 1.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.442 1.097 . . . . 0.0 113.379 -168.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -129.42 71.78 1.45 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.161 0.984 . . . . 0.0 112.716 -170.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 48.76 53.91 11.58 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.261 1.424 . . . . 0.0 113.446 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.468 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.8 mm? -66.07 121.76 15.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.281 1.032 . . . . 0.0 110.656 -173.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 141.47 45.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.89 1.276 . . . . 0.0 111.347 -172.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.26 -124.36 32.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.699 0.666 . . . . 0.0 112.725 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -55.31 -29.17 57.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.237 1.015 . . . . 0.0 113.704 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -75.79 -30.21 58.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.202 0.91 . . . . 0.0 112.335 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.53 -47.15 61.78 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.593 0.757 . . . . 0.0 109.488 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.59 -42.34 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.31 1.044 . . . . 0.0 111.044 173.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.15 -41.01 97.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.353 1.061 . . . . 0.0 112.484 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.67 77.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.486 1.039 . . . . 0.0 112.319 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -45.12 93.9 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.346 -0.846 . . . . 0.0 111.402 175.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -64.94 -35.8 82.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.145 0.978 . . . . 0.0 112.545 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -66.16 -31.99 73.17 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.237 -0.914 . . . . 0.0 111.767 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.58 -43.57 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.564 1.146 . . . . 0.0 112.68 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.27 -14.6 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.36 -119.2 17.05 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.578 1.081 . . . . 0.0 113.438 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.34 -12.04 60.42 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -72.6 129.66 38.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.865 0.866 . . . . 0.0 109.992 172.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.16 151.84 49.6 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.362 0.506 . . . . 0.0 111.975 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -138.74 152.5 48.02 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.097 0.959 . . . . 0.0 113.353 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -107.49 59.31 0.62 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.568 1.947 . . . . 0.0 112.522 -169.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.73 127.95 34.16 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.673 1.189 . . . . 0.0 112.231 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.5 p -86.64 78.07 9.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.024 1.33 . . . . 0.0 110.687 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -63.88 160.56 45.24 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.46 153.5 54.0 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.649 2.899 . . . . 0.0 113.404 169.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.099 1.759 . . . . 0.0 112.504 -179.397 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 19' ' ' TYR . 14.1 tt -84.18 -36.96 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.69 -36.16 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.053 -1.029 . . . . 0.0 111.974 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 7.6 2.5 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.295 1.438 . . . . 0.0 114.138 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -127.67 -15.02 5.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.083 1.753 . . . . 0.0 113.987 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -118.57 -22.37 7.55 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.18 -34.37 9.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.466 1.106 . . . . 0.0 112.432 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 p -72.47 -34.68 67.89 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.959 1.303 . . . . 0.0 112.385 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -149.48 160.07 43.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.785 2.434 . . . . 0.0 109.441 171.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 mt -74.38 138.8 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.497 -0.752 . . . . 0.0 111.331 -172.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.17 163.07 17.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.448 . . . . 0.0 113.735 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 t -105.22 156.59 17.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.137 1.775 . . . . 0.0 112.371 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -55.95 -28.64 57.88 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.395 1.478 . . . . 0.0 114.228 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -65.67 -27.25 68.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.485 0.714 . . . . 0.0 112.446 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -81.33 -19.99 41.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.389 1.475 . . . . 0.0 112.13 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.5 -34.61 27.9 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.917 0.887 . . . . 0.0 111.809 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.53 -22.97 57.12 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -59.83 -26.53 65.87 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.521 1.128 . . . . 0.0 113.367 171.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 2' ' ' ILE . 93.5 m-85 -105.31 -9.49 17.6 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.399 1.48 . . . . 0.0 114.006 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -68.73 141.64 55.2 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.157 0.889 . . . . 0.0 111.844 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.431 1.492 . . . . 0.0 112.22 170.338 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.333 0.111 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 m -78.7 118.42 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.38 0.672 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -129.97 71.61 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.848 1.659 . . . . 0.0 109.781 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -134.91 66.29 1.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.802 1.641 . . . . 0.0 111.496 -173.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 p80 43.05 55.86 4.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.283 1.833 . . . . 0.0 113.87 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.592 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.6 mm? -60.88 124.89 21.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.336 1.454 . . . . 0.0 111.283 -169.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.47 142.42 31.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.734 1.214 . . . . 0.0 110.838 -176.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.79 -123.91 32.14 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.79 0.709 . . . . 0.0 112.701 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.5 p -51.15 -36.06 38.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.925 1.29 . . . . 0.0 113.769 174.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -73.42 -29.19 62.42 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.739 0.816 . . . . 0.0 112.854 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.99 -47.84 49.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.581 0.752 . . . . 0.0 109.781 173.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.39 -40.84 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.052 0.941 . . . . 0.0 111.24 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.52 -41.53 96.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.139 0.976 . . . . 0.0 112.284 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.57 76.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.974 . . . . 0.0 112.305 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.69 -43.01 94.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.593 -0.692 . . . . 0.0 110.928 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -61.27 -37.34 82.77 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.39 0.995 . . . . 0.0 112.678 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.13 -32.85 74.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.926 0.89 . . . . 0.0 112.01 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.64 -43.95 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.648 1.179 . . . . 0.0 112.694 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 m -84.11 -18.07 38.08 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.37 -126.19 32.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.497 1.046 . . . . 0.0 112.779 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.25 -10.03 59.33 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -91.26 148.22 22.5 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.762 1.225 . . . . 0.0 111.612 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 177.16 33.68 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.226 0.917 . . . . 0.0 114.023 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -157.15 159.93 38.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.392 1.077 . . . . 0.0 113.149 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -89.4 142.92 27.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.74 0.816 . . . . 0.0 111.902 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -146.1 153.69 40.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.824 1.65 . . . . 0.0 110.554 172.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 t -141.18 142.38 34.02 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.695 1.198 . . . . 0.0 111.572 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -101.6 149.75 36.68 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 126.504 1.922 . . . . 0.0 111.689 -170.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -64.82 -30.03 58.69 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.5 2.133 . . . . 0.0 114.507 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.256 1.822 . . . . 0.0 113.172 178.908 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.1 tt -67.5 -35.92 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.273 1.029 . . . . 0.0 113.301 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.41 -34.43 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.343 1.057 . . . . 0.0 110.973 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -81.33 19.38 0.97 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.762 1.625 . . . . 0.0 113.107 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -128.45 -45.17 1.36 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.095 1.358 . . . . 0.0 113.415 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.51 -15.89 14.34 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.0 t -98.12 -27.45 14.19 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.864 0.756 . . . . 0.0 111.704 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p -88.39 -31.08 19.04 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.127 0.971 . . . . 0.0 113.266 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -142.06 -174.82 4.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.924 2.49 . . . . 0.0 110.304 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.4 mm -92.95 124.71 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.099 -1.001 . . . . 0.0 109.216 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -92.96 176.26 6.49 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -176.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -130.05 149.42 51.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.996 1.718 . . . . 0.0 110.25 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.89 -26.27 61.92 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.69 -27.04 65.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.706 0.802 . . . . 0.0 112.767 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.36 -33.48 42.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.404 1.082 . . . . 0.0 111.249 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.22 -32.38 70.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.403 0.681 . . . . 0.0 112.835 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.49 -15.4 49.84 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -57.52 -36.14 71.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.2 1.0 . . . . 0.0 112.095 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -96.39 -7.7 34.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.471 1.108 . . . . 0.0 113.663 -169.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -68.67 148.86 49.81 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.138 0.881 . . . . 0.0 112.919 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.252 1.421 . . . . 0.0 112.433 176.186 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.58 144.07 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.864 1.666 . . . . 0.0 110.705 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -145.96 13.76 1.31 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.949 1.7 . . . . 0.0 114.745 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -74.76 90.5 2.34 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.772 1.229 . . . . 0.0 112.093 -169.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.7 p80 47.43 47.69 16.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.624 1.97 . . . . 0.0 113.592 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.87 127.73 33.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.233 1.413 . . . . 0.0 111.025 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.6 m -138.64 145.94 41.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.835 0.854 . . . . 0.0 110.567 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -127.74 43.06 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.771 0.7 . . . . 0.0 112.456 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -53.42 -30.59 41.04 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -71.3 -33.05 69.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.057 0.844 . . . . 0.0 112.945 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.69 -37.17 36.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.51 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.32 -39.99 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.217 1.007 . . . . 0.0 110.977 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.09 -37.21 86.61 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.79 1.236 . . . . 0.0 112.494 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.78 72.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.341 -0.849 . . . . 0.0 112.088 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' B' ' 15' ' ' LEU . 7.2 tp -68.37 -38.51 81.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.64 -0.662 . . . . 0.0 111.691 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -63.95 -37.85 88.92 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.669 -0.645 . . . . 0.0 112.343 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.96 -35.67 81.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.327 -0.858 . . . . 0.0 112.354 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.93 -44.24 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.407 1.083 . . . . 0.0 112.612 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.1 m -89.37 -18.68 26.39 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -174.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.57 -154.25 45.76 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.64 1.114 . . . . 0.0 114.813 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.73 16.61 0.27 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.74 1.616 . . . . 0.0 114.434 -175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -101.77 -15.39 16.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.908 1.683 . . . . 0.0 112.96 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.5 -173.73 55.2 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.526 1.06 . . . . 0.0 115.029 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -154.44 165.43 36.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.736 1.614 . . . . 0.0 112.242 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.29 89.85 3.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.084 1.754 . . . . 0.0 109.544 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.72 134.51 56.41 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.541 -0.724 . . . . 0.0 111.164 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.26 32.1 p 49.77 35.13 8.51 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 160.92 81.17 Favored Pre-proline 0 N--CA 1.481 1.108 0 C-N-CA 123.7 0.8 . . . . 0.0 112.783 173.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.74 137.64 82.04 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.273 2.649 . . . . 0.0 113.342 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.94 1.696 . . . . 0.0 110.605 -179.571 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.52 -34.07 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.03 -34.75 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.273 -0.892 . . . . 0.0 111.874 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.69 -7.05 41.76 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.924 1.29 . . . . 0.0 113.214 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -125.73 -24.18 3.88 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.5 m -112.61 -14.19 13.21 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -112.72 -43.57 3.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.727 1.211 . . . . 0.0 111.774 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -75.23 -23.66 57.59 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.013 0.824 . . . . 0.0 111.622 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -137.3 174.64 10.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.914 2.085 . . . . 0.0 110.068 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -90.89 142.18 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.924 0.89 . . . . 0.0 109.952 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 p -135.18 161.21 36.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.264 1.026 . . . . 0.0 113.194 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -94.62 163.27 13.45 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.076 1.351 . . . . 0.0 113.725 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.9 -27.73 63.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.69 1.196 . . . . 0.0 113.802 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.15 -27.88 61.05 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.18 -0.95 . . . . 0.0 112.046 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -75.4 -25.13 57.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.465 1.106 . . . . 0.0 111.673 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.56 -35.44 60.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.039 0.836 . . . . 0.0 111.896 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.56 -21.29 65.47 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -58.76 -22.51 58.09 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.922 0.889 . . . . 0.0 112.595 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.95 0.8 24.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.003 1.721 . . . . 0.0 113.825 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.37 158.37 35.22 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.352 0.978 . . . . 0.0 112.242 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.401 2.28 . . . . 0.0 112.784 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.029 -0.034 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.95 139.56 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.349 1.46 . . . . 0.0 112.363 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -141.22 46.9 1.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.781 1.633 . . . . 0.0 111.666 -169.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -131.25 60.04 1.67 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.795 1.638 . . . . 0.0 112.099 -170.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.0 p80 46.65 52.39 11.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.698 1.999 . . . . 0.0 114.397 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.481 HD22 ' H ' ' B' ' 6' ' ' LEU . 2.0 mm? -62.34 131.37 49.06 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.643 1.177 . . . . 0.0 109.396 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.59 146.48 41.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.255 1.022 . . . . 0.0 111.616 -173.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.51 -126.59 41.62 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.532 0.587 . . . . 0.0 112.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.26 -32.01 35.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.622 1.169 . . . . 0.0 113.729 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -73.49 -32.21 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.819 0.736 . . . . 0.0 112.778 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.28 -35.31 55.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.234 0.614 . . . . 0.0 110.953 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.98 -42.2 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.579 1.152 . . . . 0.0 110.865 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.6 -40.8 97.85 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.365 1.066 . . . . 0.0 112.28 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.83 84.07 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.39 85.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.582 0.753 . . . . 0.0 111.387 173.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.26 -38.53 89.65 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.434 0.694 . . . . 0.0 112.345 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.18 -33.06 74.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.348 1.059 . . . . 0.0 112.178 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -86.21 -46.1 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.541 1.136 . . . . 0.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -81.62 -35.38 30.13 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 -132.02 52.34 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.781 0.705 . . . . 0.0 112.491 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -5.79 25.57 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.67 -19.73 63.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.057 0.943 . . . . 0.0 113.341 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.89 175.53 15.51 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.359 0.981 . . . . 0.0 113.117 -171.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -161.1 170.07 21.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.239 1.016 . . . . 0.0 113.228 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.51 155.94 33.88 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.535 1.534 . . . . 0.0 110.955 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.26 152.51 38.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.437 1.095 . . . . 0.0 111.801 -173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -151.58 153.52 34.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.664 1.186 . . . . 0.0 112.022 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -136.28 50.0 3.71 Favored Pre-proline 0 N--CA 1.48 1.05 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -172.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.66 139.17 51.96 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.799 3.0 . . . . 0.0 112.958 -172.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.252 1.185 0 C-N-CA 125.753 1.621 . . . . 0.0 112.114 178.365 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -73.7 -39.01 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.4 -30.82 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.255 -0.903 . . . . 0.0 112.616 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.11 -15.39 63.05 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 113.035 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -102.87 -55.39 2.44 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.69 1.596 . . . . 0.0 111.573 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 m -80.56 -28.2 37.3 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -169.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -74.21 -37.61 63.82 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.44 0.563 . . . . 0.0 110.73 171.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -81.95 -42.49 19.36 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.164 1.386 . . . . 0.0 113.43 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -132.39 6.0 4.1 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt 66.97 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.338 1.855 . . . . 0.0 112.992 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -128.49 145.06 51.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.994 1.318 . . . . 0.0 113.068 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.9 p -86.23 155.79 20.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.173 1.789 . . . . 0.0 110.448 168.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.19 -29.32 65.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.084 -1.01 . . . . 0.0 113.365 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.72 -28.93 69.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.596 1.159 . . . . 0.0 113.749 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -94.97 -4.74 46.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -85.03 -33.87 22.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.446 0.699 . . . . 0.0 110.103 167.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -57.53 -22.14 42.51 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.455 1.102 . . . . 0.0 113.722 172.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -57.27 -27.78 62.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.016 1.326 . . . . 0.0 113.307 171.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -104.13 -10.68 17.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.427 1.491 . . . . 0.0 113.776 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.92 152.56 45.47 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.307 0.958 . . . . 0.0 112.32 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.945 1.698 . . . . 0.0 112.582 175.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.31 138.26 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.305 1.442 . . . . 0.0 112.306 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -142.96 62.28 1.4 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.751 1.221 . . . . 0.0 111.148 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -133.41 66.24 1.56 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.075 1.35 . . . . 0.0 112.412 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 48.79 56.88 7.01 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.299 1.44 . . . . 0.0 113.235 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.16 126.13 28.55 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.641 -0.662 . . . . 0.0 109.786 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -146.56 141.47 27.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.005 . . . . 0.0 111.022 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.85 -131.5 52.08 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 122.144 -0.348 . . . . 0.0 112.424 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -51.55 -29.61 17.63 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -73.81 -28.17 61.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.263 -0.898 . . . . 0.0 112.856 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -81.18 -34.4 32.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.299 1.04 . . . . 0.0 111.342 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.66 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.066 0.946 . . . . 0.0 109.855 169.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -40.08 92.31 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.886 1.274 . . . . 0.0 112.59 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.32 91.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.191 -0.943 . . . . 0.0 112.312 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.1 -45.31 89.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.958 0.503 . . . . 0.0 111.689 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -56.98 -41.01 77.61 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.084 0.953 . . . . 0.0 112.532 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 tp -66.07 -37.63 86.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.74 1.216 . . . . 0.0 112.313 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.52 -42.43 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -79.37 -16.42 56.29 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.58 51.02 60.41 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.378 0.99 . . . . 0.0 114.333 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 62.81 9.65 3.77 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.17 -16.39 61.43 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.764 -1.21 . . . . 0.0 113.454 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.17 160.27 36.33 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.596 1.569 . . . . 0.0 113.465 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.37 162.52 33.41 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.193 1.397 . . . . 0.0 112.576 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -91.36 140.84 29.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.24 1.016 . . . . 0.0 111.214 169.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -150.25 156.82 42.28 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.135 1.374 . . . . 0.0 110.581 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -143.99 154.9 43.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.343 1.057 . . . . 0.0 112.853 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt 54.06 71.76 1.28 Allowed Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 127.635 2.374 . . . . 0.0 114.296 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.8 153.49 58.89 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.734 2.956 . . . . 0.0 112.839 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.254 1.295 0 C-N-CA 126.312 1.845 . . . . 0.0 113.113 177.153 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 19' ' ' TYR . 9.2 tt -67.99 -36.46 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.847 1.259 . . . . 0.0 113.613 -170.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.14 -35.99 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.287 0.635 . . . . 0.0 111.54 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.17 -17.15 64.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.029 0.932 . . . . 0.0 112.529 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -94.06 -60.63 1.7 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.949 1.3 . . . . 0.0 111.022 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.69 -32.52 71.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -171.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -82.17 -33.63 29.41 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.795 0.725 . . . . 0.0 112.139 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.8 m -103.64 -38.59 7.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -127.15 5.07 6.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -168.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 mm 66.41 150.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.361 1.865 . . . . 0.0 112.493 -170.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -138.2 -165.15 1.75 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.622 1.569 . . . . 0.0 111.765 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -145.66 154.68 42.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.186 1.394 . . . . 0.0 111.063 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -60.34 -27.58 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -69.07 -26.17 64.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.954 0.902 . . . . 0.0 112.614 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -81.55 -37.45 27.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.42 1.088 . . . . 0.0 111.17 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.88 -35.68 77.27 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.106 0.866 . . . . 0.0 111.603 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.48 -23.3 64.38 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -65.4 -16.55 63.73 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.234 0.925 . . . . 0.0 112.693 174.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' HD12 ' A' ' 2' ' ' ILE . 84.0 m-85 -107.26 -0.23 22.72 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.058 1.743 . . . . 0.0 113.471 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.9 m -69.72 151.82 45.38 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.283 -0.886 . . . . 0.0 111.884 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.4 t30 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.845 1.658 . . . . 0.0 112.511 175.453 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.78 133.44 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.262 1.025 . . . . 0.0 111.623 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -135.46 16.59 3.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.923 1.289 . . . . 0.0 113.264 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.67 89.25 1.32 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.897 1.679 . . . . 0.0 112.917 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 52.38 54.05 11.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.441 1.496 . . . . 0.0 112.262 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.5 mt -77.65 123.55 26.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.433 0.693 . . . . 0.0 110.41 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.4 m -135.85 139.89 43.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.335 1.054 . . . . 0.0 110.494 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.29 -122.41 21.19 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.402 0.525 . . . . 0.0 112.497 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.62 -32.78 52.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.834 1.254 . . . . 0.0 113.938 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -74.18 -33.27 63.41 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 112.941 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.414 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.1 tm? -71.1 -47.74 56.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.218 0.607 . . . . 0.0 109.503 172.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.49 -38.57 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.899 1.28 . . . . 0.0 111.9 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -41.68 94.33 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.733 1.213 . . . . 0.0 112.397 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.52 71.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.619 -0.676 . . . . 0.0 112.554 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -45.66 93.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.504 0.722 . . . . 0.0 110.818 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -62.14 -39.52 92.87 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.38 0.672 . . . . 0.0 112.278 173.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.0 tp -67.75 -30.54 70.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.393 0.677 . . . . 0.0 112.239 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -79.0 -50.02 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.431 1.092 . . . . 0.0 112.159 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 39.6 m -81.33 -30.13 33.96 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.0 -146.8 48.64 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.267 0.937 . . . . 0.0 113.143 -173.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.02 -2.89 8.52 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.79 -31.52 72.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.401 1.48 . . . . 0.0 113.129 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.77 168.01 44.19 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.947 1.261 . . . . 0.0 113.52 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -159.74 174.12 15.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.773 1.629 . . . . 0.0 112.126 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.13 158.86 34.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.999 1.32 . . . . 0.0 111.724 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -136.54 129.22 30.59 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.945 1.298 . . . . 0.0 111.41 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 p -88.19 78.42 8.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.606 1.162 . . . . 0.0 110.271 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.51 147.7 76.25 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.449 1.1 . . . . 0.0 113.04 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.08 -16.25 17.99 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.382 2.721 . . . . 0.0 114.679 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.822 1.649 . . . . 0.0 112.074 -179.269 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -66.28 -35.61 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.483 -1.01 . . . . 0.0 113.58 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.82 -30.54 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.299 1.04 . . . . 0.0 112.034 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -69.98 -10.61 59.2 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.872 1.269 . . . . 0.0 112.818 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -113.66 -58.28 2.17 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.014 1.326 . . . . 0.0 112.31 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.69 -21.26 21.72 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -170.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -101.9 -41.34 6.52 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.355 1.062 . . . . 0.0 111.337 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -80.12 -26.89 39.25 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.748 0.819 . . . . 0.0 111.96 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -135.65 -163.25 1.36 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.589 1.956 . . . . 0.0 109.331 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mm -81.87 137.21 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.797 0.839 . . . . 0.0 111.618 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -77.49 155.63 31.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.858 1.263 . . . . 0.0 114.139 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -140.91 131.17 24.96 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.726 1.21 . . . . 0.0 110.665 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.93 -27.61 68.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.342 1.057 . . . . 0.0 113.159 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -67.34 -25.89 66.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.598 0.759 . . . . 0.0 112.422 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -79.67 -39.6 30.99 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.645 0.778 . . . . 0.0 110.75 169.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.13 -20.82 60.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 172.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -71.61 -28.47 63.81 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.085 -1.01 . . . . 0.0 112.877 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -91.71 -13.63 31.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.103 1.361 . . . . 0.0 112.072 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.3 152.64 32.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.361 1.864 . . . . 0.0 112.908 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.529 1.531 . . . . 0.0 111.371 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.878 -0.106 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.64 141.01 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.373 1.469 . . . . 0.0 112.324 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -149.59 51.66 0.94 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.847 1.259 . . . . 0.0 112.331 -169.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -135.73 56.74 1.82 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.01 1.324 . . . . 0.0 112.484 -170.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 50.11 65.94 1.29 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.418 1.487 . . . . 0.0 112.9 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.52 123.88 27.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.525 0.73 . . . . 0.0 109.722 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -134.93 147.57 49.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.149 1.38 . . . . 0.0 110.803 -175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.24 -126.63 42.95 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.984 0.802 . . . . 0.0 112.615 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -54.06 -32.36 54.38 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.667 1.187 . . . . 0.0 113.256 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -71.31 -27.47 63.42 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.906 0.882 . . . . 0.0 112.742 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.95 -37.98 28.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.537 0.735 . . . . 0.0 111.557 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.8 -31.55 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.437 -0.79 . . . . 0.0 112.249 169.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.73 -37.13 85.35 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.557 -0.714 . . . . 0.0 111.297 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.98 70.16 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 111.701 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.74 -42.94 98.38 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.095 0.558 . . . . 0.0 111.179 172.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.48 -36.84 85.49 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.53 -30.59 71.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.874 0.87 . . . . 0.0 112.162 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.88 -42.01 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.0 1.32 . . . . 0.0 112.496 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -90.8 -29.81 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.35 -140.87 47.95 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.044 0.831 . . . . 0.0 113.533 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.75 -3.9 31.29 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -61.64 -33.24 73.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.504 1.121 . . . . 0.0 113.708 174.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 155.03 5.07 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.615 1.102 . . . . 0.0 113.255 -170.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -139.26 163.47 32.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.502 1.521 . . . . 0.0 112.211 -171.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -123.49 100.39 6.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.416 1.486 . . . . 0.0 109.138 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -67.5 155.22 39.59 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.451 0.643 . . . . 0.0 111.572 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.336 21.5 p 52.66 40.4 30.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -56.72 154.19 18.95 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.158 1.783 . . . . 0.0 109.663 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -59.89 -13.23 21.69 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.126 2.551 . . . . 0.0 116.676 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.25 1.109 0 C-N-CA 126.231 1.812 . . . . 0.0 112.7 174.533 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.9 tt -72.58 -40.95 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -171.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.18 -29.2 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.237 -0.915 . . . . 0.0 112.068 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.07 -6.18 31.93 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.399 1.479 . . . . 0.0 113.378 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -108.85 -53.04 2.69 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.438 1.495 . . . . 0.0 110.243 169.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.43 -32.01 64.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -76.23 -39.27 54.98 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.66 0.664 . . . . 0.0 111.949 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 p -100.86 -32.2 10.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.998 1.319 . . . . 0.0 114.464 -170.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -131.62 7.25 4.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.09 1.356 . . . . 0.0 114.622 -169.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.13 151.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 127.616 2.366 . . . . 0.0 113.984 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.7 m -128.05 140.79 51.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.873 1.669 . . . . 0.0 112.299 171.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.9 p -91.95 162.87 14.22 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.835 1.254 . . . . 0.0 108.639 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.84 -25.88 63.66 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.84 -29.1 67.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.945 0.898 . . . . 0.0 112.445 174.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -75.95 -36.91 59.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.697 0.799 . . . . 0.0 111.396 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.46 -36.5 79.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.394 0.543 . . . . 0.0 112.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.34 -20.82 31.31 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 173.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -67.82 -18.15 64.75 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.507 ' CD1' HD12 ' A' ' 2' ' ' ILE . 67.4 m-85 -112.94 -4.29 13.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.153 1.381 . . . . 0.0 113.799 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.5 m -68.41 149.09 49.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.14 0.882 . . . . 0.0 112.551 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 172.184 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.283 0.087 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.7 125.65 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.617 1.567 . . . . 0.0 111.671 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.42 71.59 1.46 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.004 1.722 . . . . 0.0 109.29 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.16 72.59 1.37 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.463 1.505 . . . . 0.0 113.26 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 51.18 53.82 12.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.199 1.399 . . . . 0.0 113.537 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.454 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.2 mm? -68.52 118.11 11.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.959 -175.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -143.95 145.61 32.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.516 1.126 . . . . 0.0 111.124 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.73 -132.75 52.71 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 123.464 0.554 . . . . 0.0 111.932 -172.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -57.36 -25.17 59.02 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -70.26 -30.29 67.3 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.389 -0.82 . . . . 0.0 112.711 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.58 -43.07 66.96 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.139 0.576 . . . . 0.0 110.08 174.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.88 -43.26 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.527 1.131 . . . . 0.0 110.817 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.05 -43.61 98.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.019 1.328 . . . . 0.0 112.321 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.42 82.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.359 -0.838 . . . . 0.0 112.236 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.91 -45.15 90.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.428 0.558 . . . . 0.0 111.06 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -59.69 -38.85 82.69 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.034 0.834 . . . . 0.0 112.657 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.72 -38.05 88.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.817 1.247 . . . . 0.0 112.123 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.92 -42.57 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.107 0.963 . . . . 0.0 112.639 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.18 -13.05 60.01 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.2 52.74 45.03 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.292 0.949 . . . . 0.0 112.64 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.321 8.3 pt-20 55.54 12.69 0.82 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.647 2.379 . . . . 0.0 117.062 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -69.09 -18.07 63.94 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.751 1.22 . . . . 0.0 113.879 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.68 168.9 43.56 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.662 1.125 . . . . 0.0 113.101 -170.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -158.48 154.82 27.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.963 1.305 . . . . 0.0 111.721 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -77.77 -50.63 11.98 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 112.859 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.265 7.4 p90 45.05 -176.16 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.675 2.79 . . . . 0.0 115.859 -175.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.6 p -138.02 140.34 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.386 -1.446 . . . . 0.0 111.241 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.33 131.93 90.0 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.684 1.194 . . . . 0.0 111.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.87 137.55 77.07 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.866 2.377 . . . . 0.0 111.839 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.615 1.566 . . . . 0.0 110.722 -178.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -59.4 -32.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.435 1.494 . . . . 0.0 114.144 -169.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -64.58 -30.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.293 -0.879 . . . . 0.0 112.069 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.11 6.99 6.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.407 1.483 . . . . 0.0 112.623 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -130.67 -38.99 1.28 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 112.961 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.55 -11.4 17.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -171.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.27 -43.61 4.75 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.772 1.229 . . . . 0.0 111.67 171.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.6 p -67.19 -39.27 86.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.761 0.824 . . . . 0.0 111.684 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -122.44 -156.56 0.7 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.605 2.362 . . . . 0.0 107.63 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -129.23 136.78 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.392 1.077 . . . . 0.0 109.62 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -116.57 150.52 37.88 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.883 1.273 . . . . 0.0 112.703 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -78.24 156.43 29.74 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.559 1.144 . . . . 0.0 112.427 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.46 -27.97 58.36 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -65.52 -27.57 68.56 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.0 0.92 . . . . 0.0 113.093 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.94 -16.21 51.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.748 1.619 . . . . 0.0 112.08 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.21 -36.18 35.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.255 1.022 . . . . 0.0 111.673 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.04 -28.18 62.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.98 0.912 . . . . 0.0 113.041 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.05 -26.1 59.78 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.991 1.316 . . . . 0.0 113.66 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -104.27 0.06 28.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 0.0 113.269 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -91.0 151.5 21.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.42 1.488 . . . . 0.0 112.659 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.915 1.286 . . . . 0.0 113.537 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 t80 . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.045 0.926 . . . . 0.0 112.967 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.81 65.23 0.92 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.034 1.334 . . . . 0.0 110.157 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -133.81 45.08 2.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.154 1.381 . . . . 0.0 113.117 -169.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 54.12 82.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.556 1.542 . . . . 0.0 111.471 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.03 110.22 14.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.0 0.92 . . . . 0.0 108.878 -173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.83 139.11 52.32 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.17 -120.68 19.01 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.098 0.856 . . . . 0.0 112.654 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -51.28 -36.99 44.91 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.938 1.295 . . . . 0.0 113.726 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -72.12 -35.69 69.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.072 0.851 . . . . 0.0 112.82 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.6 -46.72 71.79 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.798 0.839 . . . . 0.0 109.944 174.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.56 -42.35 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.777 1.231 . . . . 0.0 111.566 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.67 -41.65 97.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.638 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.26 84.87 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.68 -0.637 . . . . 0.0 112.666 175.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.8 96.07 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.898 -0.501 . . . . 0.0 110.635 175.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.44 -37.55 87.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.46 -29.58 69.74 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.993 0.917 . . . . 0.0 112.365 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -86.42 -42.54 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.988 1.315 . . . . 0.0 112.268 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.3 t -88.18 -32.29 18.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -155.31 53.41 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.32 0.962 . . . . 0.0 112.936 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.32 5.32 5.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -66.56 -25.63 66.73 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.953 1.301 . . . . 0.0 113.749 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.89 152.14 13.57 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.863 1.22 . . . . 0.0 113.754 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -150.69 168.93 22.87 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 112.932 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -102.59 152.91 20.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.689 1.596 . . . . 0.0 111.808 171.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -154.12 167.41 29.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.75 1.22 . . . . 0.0 110.778 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -129.22 155.85 44.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.538 1.135 . . . . 0.0 111.744 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -148.84 154.0 39.59 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.632 1.573 . . . . 0.0 112.18 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.38 -14.03 20.45 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 123.357 2.705 . . . . 0.0 114.015 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 126.896 2.079 . . . . 0.0 113.202 -175.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.419 HD12 ' CD1' ' A' ' 19' ' ' TYR . 8.7 tt -85.28 -31.56 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.57 -33.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.303 -0.873 . . . . 0.0 111.319 -173.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.26 -7.08 21.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.512 1.125 . . . . 0.0 114.014 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -121.41 -29.25 4.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.204 1.402 . . . . 0.0 113.6 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.0 m -106.8 -20.2 13.41 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -103.04 -43.89 5.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 111.602 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -77.26 -27.2 53.11 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.415 -0.803 . . . . 0.0 112.098 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -134.95 179.84 6.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.969 2.108 . . . . 0.0 110.284 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.98 141.74 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.311 1.044 . . . . 0.0 110.25 172.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -134.5 164.41 27.53 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.533 1.133 . . . . 0.0 113.694 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -105.26 154.98 19.51 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.653 1.981 . . . . 0.0 112.897 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.45 -27.03 55.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.64 -28.84 65.12 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.62 -0.675 . . . . 0.0 112.367 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -75.15 -24.61 57.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.784 1.234 . . . . 0.0 111.456 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.44 -35.37 46.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.326 0.65 . . . . 0.0 111.89 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.62 -20.21 65.49 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.1 -12.59 40.69 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.657 0.783 . . . . 0.0 112.946 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CD1' HD12 ' A' ' 2' ' ' ILE . 58.5 m-85 -112.32 2.41 16.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.171 1.788 . . . . 0.0 113.797 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -75.17 160.65 30.18 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.572 1.078 . . . . 0.0 111.477 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.385 0 C-N-CA 126.097 1.759 . . . . 0.0 111.011 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.0 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 m -121.2 140.22 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.072 1.349 . . . . 0.0 112.35 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -145.36 39.38 1.18 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.079 1.351 . . . . 0.0 112.231 -169.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -119.41 63.18 0.8 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.282 1.433 . . . . 0.0 111.434 -170.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 43.71 61.2 2.36 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.598 1.959 . . . . 0.0 113.544 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.9 mm? -70.05 123.99 22.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.79 1.236 . . . . 0.0 110.968 -174.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -130.39 143.13 50.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.434 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.44 -123.35 32.4 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.863 0.745 . . . . 0.0 112.766 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -53.02 -34.24 55.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.916 1.286 . . . . 0.0 113.071 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -73.86 -29.8 62.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 112.497 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' B' ' 26' ' ' TYR . 3.2 tm? -71.24 -49.92 38.29 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.222 0.609 . . . . 0.0 109.74 176.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -66.65 -29.25 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.64 -41.63 95.29 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.418 0.687 . . . . 0.0 111.093 169.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.25 66.67 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.568 -0.707 . . . . 0.0 111.977 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -45.2 92.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.548 0.739 . . . . 0.0 110.942 175.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.3 -37.3 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.372 1.069 . . . . 0.0 112.781 173.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.73 -31.38 72.53 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.687 0.795 . . . . 0.0 112.099 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.59 -45.51 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 112.32 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -81.25 -30.11 34.22 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.221 -0.924 . . . . 0.0 113.429 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.79 -120.98 25.12 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 119.178 0.899 . . . . 0.0 111.718 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.73 -3.2 40.01 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -77.21 40.51 0.27 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.634 1.574 . . . . 0.0 114.571 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.76 -68.38 0.04 OUTLIER Glycine 0 CA--C 1.541 1.705 0 C-N-CA 127.984 2.707 . . . . 0.0 116.783 169.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . 0.317 1.9 p90 60.89 159.77 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 131.154 3.782 . . . . 0.0 118.546 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -127.69 148.77 50.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.303 1.841 . . . . 0.0 112.071 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' B' ' 11' ' ' LEU . 38.8 t80 -140.2 164.67 29.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.197 1.799 . . . . 0.0 111.147 172.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -73.08 -16.1 61.48 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -91.96 124.37 60.33 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.025 1.33 . . . . 0.0 110.568 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.54 126.78 19.11 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.612 2.208 . . . . 0.0 111.199 169.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.229 1.412 . . . . 0.0 111.138 -175.584 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tt -84.25 -28.99 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.8 140.92 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.865 0.866 . . . . 0.0 109.453 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 55.23 32.31 18.29 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -132.19 -52.67 0.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.993 1.317 . . . . 0.0 111.835 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.7 m -96.82 -4.36 40.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.332 1.053 . . . . 0.0 113.755 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.04 -50.4 4.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.819 1.647 . . . . 0.0 111.715 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 p -80.91 -21.88 40.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.099 1.36 . . . . 0.0 113.441 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -140.9 -174.26 3.94 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.918 2.087 . . . . 0.0 110.279 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.16 142.79 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.882 1.273 . . . . 0.0 111.742 -177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -112.82 -174.12 2.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.298 1.839 . . . . 0.0 112.845 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -138.12 153.02 49.28 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.915 1.686 . . . . 0.0 108.933 169.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -22.38 61.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.22 -28.17 67.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.142 0.977 . . . . 0.0 113.472 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -92.89 -2.91 55.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -84.74 -41.57 16.07 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 167.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.98 -26.48 48.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.445 171.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -53.66 -29.65 39.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.913 1.285 . . . . 0.0 113.245 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -102.15 -1.05 32.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.159 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -79.17 147.07 32.79 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.163 -0.961 . . . . 0.0 112.855 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.07 1.348 . . . . 0.0 112.083 172.303 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -64.53 112.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 122.078 0.942 . . . . 0.0 113.305 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.74 12.96 2.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.965 1.706 . . . . 0.0 113.257 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -77.12 77.76 3.65 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.685 1.994 . . . . 0.0 113.361 -170.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 53.26 46.53 26.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.032 1.333 . . . . 0.0 113.55 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.04 131.51 40.64 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.275 -0.891 . . . . 0.0 109.769 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.35 147.13 51.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.187 1.395 . . . . 0.0 111.052 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.38 -126.66 42.79 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 123.776 0.703 . . . . 0.0 112.628 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -53.53 -28.65 32.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.534 1.134 . . . . 0.0 113.87 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -75.84 -31.54 59.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.844 0.747 . . . . 0.0 112.432 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.74 -36.93 56.79 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.808 0.843 . . . . 0.0 110.466 176.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.18 -42.15 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.622 1.169 . . . . 0.0 110.257 168.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.76 -38.06 89.71 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.749 1.22 . . . . 0.0 113.043 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.46 87.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.561 1.073 . . . . 0.0 111.362 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.64 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.075 -0.391 . . . . 0.0 111.181 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -62.45 -38.85 91.39 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.097 0.959 . . . . 0.0 112.358 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 tp -67.44 -29.28 68.71 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.559 -0.713 . . . . 0.0 112.242 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.25 -45.3 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.471 1.108 . . . . 0.0 112.642 174.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 t -94.76 -23.65 17.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -168.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.8 -152.66 51.66 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 121.328 -0.858 . . . . 0.0 113.192 -171.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.17 1.05 19.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.86 1.429 . . . . 0.0 114.86 -171.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -74.55 -11.19 60.15 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.98 161.9 24.49 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.99 1.281 . . . . 0.0 113.649 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.83 156.6 36.5 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.149 0.98 . . . . 0.0 113.075 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -90.13 41.27 1.04 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 113.617 -169.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.73 151.49 25.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 171.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -138.14 151.25 47.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.095 0.958 . . . . 0.0 112.939 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -79.62 161.43 66.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 126.036 1.734 . . . . 0.0 112.737 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.1 -30.02 90.48 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.296 2.664 . . . . 0.0 115.03 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.559 1.944 . . . . 0.0 112.837 178.386 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.33 -40.47 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -171.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.19 -33.0 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.325 -0.86 . . . . 0.0 111.656 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.8 -12.93 58.08 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.305 1.442 . . . . 0.0 112.946 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -109.68 -40.62 4.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.633 1.173 . . . . 0.0 113.438 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -95.87 -17.95 20.72 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -115.77 -41.7 3.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.302 1.041 . . . . 0.0 112.648 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -74.22 -24.97 59.41 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.408 -0.808 . . . . 0.0 111.452 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -134.14 -163.08 1.32 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.405 2.282 . . . . 0.0 108.617 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mt -115.11 137.6 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.888 1.275 . . . . 0.0 109.519 171.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -120.86 159.61 25.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.797 1.239 . . . . 0.0 113.543 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -94.81 155.19 16.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.863 1.665 . . . . 0.0 112.15 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.74 -28.92 37.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.197 1.399 . . . . 0.0 114.44 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -63.64 -28.73 70.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 112.814 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -78.97 -23.92 44.21 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.6 1.56 . . . . 0.0 111.724 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.81 -38.27 46.79 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.469 1.108 . . . . 0.0 111.881 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.29 -25.71 59.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.71 -20.26 63.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.515 1.126 . . . . 0.0 113.697 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.26 2.5 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.509 1.524 . . . . 0.0 113.095 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.55 140.03 30.13 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.762 1.625 . . . . 0.0 112.676 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 128.72 2.808 . . . . 0.0 115.226 171.612 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.74 139.43 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.744 1.618 . . . . 0.0 111.702 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -142.66 56.87 1.43 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.089 1.756 . . . . 0.0 111.276 -169.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -133.58 59.55 1.73 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.552 1.541 . . . . 0.0 113.04 -169.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 48.64 56.53 7.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.396 1.478 . . . . 0.0 113.549 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.403 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.9 mm? -66.83 121.21 14.97 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.095 -1.003 . . . . 0.0 109.665 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.59 144.56 37.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.897 1.279 . . . . 0.0 111.34 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.63 39.81 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.346 0.498 . . . . 0.0 112.591 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 p -51.69 -33.11 32.61 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.959 1.303 . . . . 0.0 113.9 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -75.1 -28.17 60.14 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.572 -0.705 . . . . 0.0 112.509 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.55 -34.61 46.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.389 0.676 . . . . 0.0 110.938 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.61 -43.94 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.178 0.991 . . . . 0.0 110.276 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.69 -40.94 98.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.197 0.999 . . . . 0.0 111.861 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.83 -37.4 81.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.992 0.815 . . . . 0.0 112.803 175.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -41.46 95.72 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.37 -0.831 . . . . 0.0 111.235 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.92 -36.57 84.79 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.07 -33.17 73.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.024 0.93 . . . . 0.0 112.2 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -90.4 -41.2 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.981 1.312 . . . . 0.0 113.085 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -98.55 -23.38 15.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.082 1.353 . . . . 0.0 114.622 -170.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.38 -142.24 47.88 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.317 -0.864 . . . . 0.0 113.183 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.04 0.5 15.79 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.58 -4.06 46.91 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -172.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 146.47 2.84 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.509 1.528 . . . . 0.0 113.883 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -147.01 159.01 44.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.986 0.915 . . . . 0.0 112.972 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -127.03 48.7 2.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.774 1.63 . . . . 0.0 111.771 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.32 145.07 52.71 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.122 0.969 . . . . 0.0 111.69 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -95.0 106.2 18.17 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.271 -0.893 . . . . 0.0 111.417 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -70.42 156.47 91.85 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.441 1.096 . . . . 0.0 112.032 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.14 -22.01 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.575 2.183 . . . . 0.0 113.905 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.851 1.661 . . . . 0.0 111.889 179.397 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 19' ' ' TYR . 9.7 tp -70.16 -27.62 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.06 -35.92 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.919 -1.113 . . . . 0.0 111.667 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.89 15.02 1.54 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.929 1.292 . . . . 0.0 112.972 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -133.47 -31.4 1.22 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.656 1.582 . . . . 0.0 113.122 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -113.07 -18.85 12.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.692 1.597 . . . . 0.0 114.809 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.0 t -100.08 -30.63 11.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.528 1.058 . . . . 0.0 112.334 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -79.16 -31.58 44.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.769 1.228 . . . . 0.0 112.886 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -150.98 173.77 13.91 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.294 2.238 . . . . 0.0 109.712 172.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -76.6 142.12 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 121.442 -0.786 . . . . 0.0 111.023 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 p -126.76 162.78 25.03 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.51 1.524 . . . . 0.0 112.568 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.1 p -107.6 155.78 19.76 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.369 1.867 . . . . 0.0 112.226 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.5 -29.82 38.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.122 1.369 . . . . 0.0 114.223 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -64.96 -25.6 67.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.141 0.976 . . . . 0.0 112.926 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -78.27 -19.12 54.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.141 1.376 . . . . 0.0 112.182 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.98 -27.68 28.27 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.965 0.906 . . . . 0.0 111.902 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.75 -26.45 67.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.537 0.735 . . . . 0.0 112.591 174.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.24 -24.12 66.13 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.083 1.353 . . . . 0.0 113.4 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE1' HD13 ' A' ' 2' ' ' ILE . 94.7 m-85 -103.97 -3.47 24.63 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.955 1.702 . . . . 0.0 113.305 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.39 150.4 25.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.622 1.569 . . . . 0.0 111.833 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.571 1.148 . . . . 0.0 112.774 173.01 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.849 -0.056 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.74 131.61 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.19 1.396 . . . . 0.0 112.511 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.4 49.63 1.99 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.215 1.406 . . . . 0.0 110.529 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -133.64 71.71 1.47 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.032 1.333 . . . . 0.0 113.416 -169.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 43.66 52.61 6.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.631 1.972 . . . . 0.0 113.799 170.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.47 131.94 51.8 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.183 1.393 . . . . 0.0 111.175 -172.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 141.59 27.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.238 0.615 . . . . 0.0 111.202 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.21 -125.13 35.11 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 123.817 0.723 . . . . 0.0 112.132 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -51.79 -35.8 45.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.878 1.271 . . . . 0.0 114.024 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -70.43 -30.74 67.67 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.5 tp -82.99 -42.78 17.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.462 0.705 . . . . 0.0 110.572 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.03 -40.38 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.336 1.054 . . . . 0.0 111.54 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -37.36 81.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.847 1.259 . . . . 0.0 112.536 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.29 -39.28 65.46 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.394 -0.816 . . . . 0.0 112.81 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.9 -42.01 98.58 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.67 -0.644 . . . . 0.0 110.886 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.98 -39.36 94.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -33.9 77.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.481 0.712 . . . . 0.0 112.465 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -85.74 -43.34 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.621 1.168 . . . . 0.0 112.585 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -91.58 -27.2 18.32 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.94 -139.49 48.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.413 1.006 . . . . 0.0 113.646 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.38 -3.29 26.38 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -67.69 -28.71 67.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.111 0.964 . . . . 0.0 113.167 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.94 6.24 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.087 1.327 . . . . 0.0 113.565 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -140.26 165.4 27.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.164 1.386 . . . . 0.0 112.55 -172.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -128.56 112.74 14.63 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.101 1.36 . . . . 0.0 110.422 -173.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -79.07 -21.0 47.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.187 0.995 . . . . 0.0 113.601 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p 60.29 179.45 0.1 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.201 2.2 . . . . 0.0 114.592 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -137.48 123.42 13.05 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.406 1.483 . . . . 0.0 109.963 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.97 -24.07 4.21 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.761 2.307 . . . . 0.0 114.004 -174.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 C--O 1.251 1.144 0 C-N-CA 126.304 1.842 . . . . 0.0 110.673 -175.911 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 CA-C-O 121.218 0.343 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 19' ' ' TYR . 8.2 tp -69.51 -38.85 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.389 1.075 . . . . 0.0 113.29 -173.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.72 -31.63 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.322 -0.861 . . . . 0.0 112.005 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.36 -7.62 32.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.296 1.438 . . . . 0.0 113.078 173.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.83 -57.97 1.97 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.845 1.658 . . . . 0.0 110.388 170.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.67 55.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -99.3 -40.49 7.9 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.743 0.817 . . . . 0.0 111.95 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -68.01 -29.52 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.139 0.976 . . . . 0.0 112.266 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -133.52 -126.63 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.175 1.39 . . . . 0.0 109.743 169.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mt -139.92 142.72 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.133 1.773 . . . . 0.0 107.888 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.06 152.87 52.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.699 0.8 . . . . 0.0 112.803 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.7 p -100.21 169.03 9.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.153 1.781 . . . . 0.0 113.161 -174.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.84 -27.89 32.46 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -72.18 -28.24 63.09 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.817 0.847 . . . . 0.0 112.277 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -81.49 -25.31 36.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.59 1.156 . . . . 0.0 111.916 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -74.4 -39.97 62.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.874 0.761 . . . . 0.0 112.147 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.26 -18.22 60.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.03 -20.2 50.92 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.681 0.792 . . . . 0.0 112.708 170.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.477 ' CE1' HD13 ' A' ' 2' ' ' ILE . 95.4 m-85 -106.8 13.36 27.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.611 1.164 . . . . 0.0 113.513 -175.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.54 163.96 18.0 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 C-N-CA 124.935 1.294 . . . . 0.0 111.29 169.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.3 m -68.04 122.74 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.1 0.96 . . . . 0.0 113.295 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -137.25 66.4 1.46 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.12 1.768 . . . . 0.0 109.226 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -139.0 60.55 1.59 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.651 1.181 . . . . 0.0 113.017 -169.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 48.81 49.36 19.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.21 1.404 . . . . 0.0 113.823 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.8 122.54 15.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.338 1.055 . . . . 0.0 111.397 -170.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.79 142.9 38.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.139 0.976 . . . . 0.0 111.179 -176.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.39 -124.74 26.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.872 0.749 . . . . 0.0 112.351 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -53.93 -31.4 50.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.981 1.312 . . . . 0.0 113.769 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.72 -34.86 67.37 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 112.577 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.15 -44.37 65.67 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.4 -41.89 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.015 0.926 . . . . 0.0 111.718 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.62 -41.73 91.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.789 1.236 . . . . 0.0 111.699 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.37 -36.98 71.65 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -42.45 98.43 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.307 -0.87 . . . . 0.0 110.745 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.63 -33.5 75.09 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.23 -30.69 70.67 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.125 -0.984 . . . . 0.0 112.112 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.38 -44.5 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.607 1.163 . . . . 0.0 112.497 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.3 m -108.53 -18.03 13.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -169.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.36 -131.11 48.64 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.62 1.105 . . . . 0.0 113.772 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.85 -2.54 27.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -67.75 -28.05 67.3 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.445 1.021 . . . . 0.0 113.011 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.54 153.46 15.23 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.015 1.293 . . . . 0.0 113.764 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -154.28 170.13 22.02 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.325 1.45 . . . . 0.0 113.045 -172.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -115.95 153.73 31.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.315 1.846 . . . . 0.0 111.946 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -154.26 166.76 32.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.5 1.52 . . . . 0.0 110.581 169.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.8 t -143.55 161.85 37.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.06 0.944 . . . . 0.0 112.565 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -87.2 152.12 52.41 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 126.063 1.745 . . . . 0.0 112.315 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.3 -14.5 16.42 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 113.878 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.254 1.31 0 C-N-CA 127.092 2.157 . . . . 0.0 112.983 -176.473 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 19' ' ' TYR . 13.3 tt -76.05 -35.47 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -172.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.23 -29.36 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 120.91 -1.119 . . . . 0.0 111.744 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.67 5.07 5.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.482 1.913 . . . . 0.0 113.452 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -128.09 -43.64 1.48 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 112.234 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.31 -6.24 23.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -169.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.1 -37.93 5.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.743 1.217 . . . . 0.0 111.851 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 p -71.85 -30.7 65.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.72 172.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -138.19 -163.62 1.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.5 2.32 . . . . 0.0 109.242 171.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.33 141.81 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.971 1.309 . . . . 0.0 111.629 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.0 m -122.09 147.31 46.28 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.307 1.843 . . . . 0.0 112.675 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -90.07 164.24 14.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.072 1.349 . . . . 0.0 110.508 169.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.27 -26.31 60.63 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -68.76 -29.46 67.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.947 0.899 . . . . 0.0 112.563 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -77.22 -27.11 53.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.92 0.888 . . . . 0.0 111.878 171.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.55 -33.01 54.23 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.749 0.704 . . . . 0.0 112.321 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.86 -25.44 65.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -58.95 -22.81 60.78 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.295 1.038 . . . . 0.0 112.963 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 2' ' ' ILE . 88.1 m-85 -105.25 -3.84 22.38 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.764 1.625 . . . . 0.0 113.811 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.6 m -70.33 147.25 49.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.922 0.783 . . . . 0.0 111.276 169.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 125.825 1.65 . . . . 0.0 111.673 172.443 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.871 -0.109 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.85 136.89 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 0.0 111.736 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 65.46 0.91 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.493 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.24 -53.86 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -178.45 51.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.154 2.182 . . . . 0.0 110.527 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.28 120.04 18.35 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.486 -1.384 . . . . 0.0 111.514 -169.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.45 143.32 39.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 111.539 -175.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.41 -123.73 32.49 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.773 0.701 . . . . 0.0 112.399 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -52.44 -33.51 44.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.88 1.272 . . . . 0.0 113.294 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -76.99 -28.78 55.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.995 0.918 . . . . 0.0 112.477 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 11' ' ' LEU . 3.1 tm? -69.18 -50.79 44.37 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.526 0.73 . . . . 0.0 109.726 173.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.24 -30.18 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.48 -39.88 92.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.551 0.74 . . . . 0.0 111.617 169.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.69 -35.28 67.62 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.68 -0.637 . . . . 0.0 112.102 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.53 88.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.139 174.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -60.68 -40.1 90.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.354 1.062 . . . . 0.0 112.367 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.05 -29.27 70.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.743 0.817 . . . . 0.0 112.166 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -86.31 -45.93 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.599 1.16 . . . . 0.0 112.456 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.79 -20.35 46.39 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.385 0.993 . . . . 0.0 113.584 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.64 -117.5 11.17 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 112.436 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.62 -11.9 60.1 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -86.42 150.23 24.45 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.655 1.182 . . . . 0.0 112.025 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.3 173.4 46.14 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.207 0.908 . . . . 0.0 113.74 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -151.46 165.01 35.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.908 1.283 . . . . 0.0 112.17 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -115.41 148.29 39.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.787 1.235 . . . . 0.0 112.42 172.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -138.9 171.8 13.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.61 1.964 . . . . 0.0 110.917 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p -71.28 -11.56 60.98 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.52 150.99 73.75 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 125.941 1.696 . . . . 0.0 111.985 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.4 -25.33 9.86 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 123.445 2.763 . . . . 0.0 112.731 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 77.3 m . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.883 2.073 . . . . 0.0 110.171 179.371 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.3 tt -79.15 -31.74 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.325 1.05 . . . . 0.0 113.302 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.81 -33.75 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.337 -0.852 . . . . 0.0 111.409 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.78 8.48 2.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.319 1.848 . . . . 0.0 113.737 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -128.16 -48.79 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.509 1.524 . . . . 0.0 111.793 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.5 m -92.96 -20.14 20.91 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -171.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.5 t -106.77 -37.22 6.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.39 1.076 . . . . 0.0 112.046 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 p -78.81 -23.29 45.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.673 0.789 . . . . 0.0 112.853 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 t -139.3 -158.9 0.9 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.53 2.332 . . . . 0.0 108.704 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.81 137.5 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.088 1.355 . . . . 0.0 109.855 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.4 165.37 16.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.244 1.417 . . . . 0.0 112.984 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -106.22 152.9 22.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.07 1.748 . . . . 0.0 112.609 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -26.62 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.683 1.193 . . . . 0.0 114.131 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.39 -26.36 66.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.855 0.862 . . . . 0.0 112.793 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -75.05 -35.91 61.85 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.469 1.108 . . . . 0.0 111.109 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.99 -32.23 73.33 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.296 0.639 . . . . 0.0 112.274 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.91 -22.87 62.97 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.14 -21.57 64.91 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.307 -0.871 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -100.76 -7.04 24.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.198 1.799 . . . . 0.0 113.243 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -77.22 146.11 37.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.577 1.151 . . . . 0.0 110.792 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.768 1.227 . . . . 0.0 114.185 -175.87 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.054 -0.022 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 m -121.07 135.35 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.456 1.502 . . . . 0.0 112.372 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -140.38 56.23 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.878 1.671 . . . . 0.0 111.149 -168.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -129.92 59.93 1.61 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.318 1.447 . . . . 0.0 111.182 -170.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.4 p80 42.73 60.4 2.45 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.549 1.94 . . . . 0.0 113.165 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.47 128.27 35.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.762 1.625 . . . . 0.0 111.369 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -135.65 146.33 47.72 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.078 0.951 . . . . 0.0 110.866 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.6 -123.98 30.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.736 0.684 . . . . 0.0 112.648 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -50.16 -36.77 31.6 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.556 1.543 . . . . 0.0 113.545 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -71.5 -31.64 67.33 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.774 0.83 . . . . 0.0 112.964 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.96 -39.45 34.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.063 0.945 . . . . 0.0 110.741 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.86 -31.65 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.97 -37.14 81.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.945 0.898 . . . . 0.0 111.887 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.18 -32.87 61.36 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.603 -0.686 . . . . 0.0 112.387 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -40.55 96.59 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.591 -0.693 . . . . 0.0 111.168 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -64.49 -36.4 84.07 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.136 0.974 . . . . 0.0 112.639 172.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.36 -34.4 78.24 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.156 -0.965 . . . . 0.0 112.496 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.15 -44.88 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.869 1.268 . . . . 0.0 112.703 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.0 t -90.8 -12.68 35.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.01 1.324 . . . . 0.0 113.846 -174.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.91 -148.46 48.0 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.301 0.953 . . . . 0.0 112.637 -173.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.54 -1.22 15.12 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -77.76 149.76 34.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.115 1.366 . . . . 0.0 112.178 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.55 73.71 1.37 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.116 1.341 . . . . 0.0 115.024 -172.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -61.33 162.0 8.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.28 1.032 . . . . 0.0 112.231 169.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -111.22 150.74 29.13 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.42 1.088 . . . . 0.0 112.278 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -139.14 139.88 37.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.249 1.42 . . . . 0.0 110.781 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -93.32 17.02 11.93 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -169.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 64.69 161.98 0.12 Allowed Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 128.05 2.54 . . . . 0.0 114.363 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.98 -24.57 33.14 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.847 2.365 . . . . 0.0 114.432 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.367 1.867 . . . . 0.0 110.868 -174.725 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -75.54 -33.36 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -169.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.29 -28.54 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.75 -1.219 . . . . 0.0 111.798 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -73.09 11.57 0.69 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.099 1.76 . . . . 0.0 113.935 169.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -129.11 -46.04 1.24 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.964 1.706 . . . . 0.0 110.909 169.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -81.78 -23.33 36.64 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.6 t -111.02 -39.39 4.8 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.525 1.057 . . . . 0.0 113.305 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -72.33 -24.09 61.25 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.839 0.856 . . . . 0.0 112.494 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -133.95 -154.95 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.644 2.378 . . . . 0.0 108.566 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.97 134.2 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.872 1.269 . . . . 0.0 109.628 172.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.7 164.44 13.03 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.021 1.328 . . . . 0.0 112.965 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -113.9 153.2 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.934 1.694 . . . . 0.0 112.234 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.23 -28.6 63.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.529 1.132 . . . . 0.0 113.929 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -68.04 -25.64 65.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.603 0.761 . . . . 0.0 112.727 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -80.89 -36.72 30.88 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.042 1.337 . . . . 0.0 111.072 170.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.82 -33.73 75.83 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.646 0.657 . . . . 0.0 112.365 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.58 -16.73 41.01 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 173.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -69.6 -21.41 63.59 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.449 1.022 . . . . 0.0 112.765 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -105.09 -11.77 16.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.339 1.456 . . . . 0.0 113.407 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.15 147.95 51.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.62 0.768 . . . . 0.0 112.294 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.432 1.493 . . . . 0.0 112.582 177.119 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.785 -0.15 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.77 135.39 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.791 1.637 . . . . 0.0 111.416 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -135.52 56.77 1.82 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.677 1.991 . . . . 0.0 111.285 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -126.81 64.58 1.28 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.306 1.443 . . . . 0.0 111.995 -169.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 p80 42.82 55.6 4.28 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.58 1.952 . . . . 0.0 113.242 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.54 HD22 ' H ' ' B' ' 6' ' ' LEU . 1.8 mm? -60.07 118.65 6.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.865 1.666 . . . . 0.0 112.0 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.89 143.43 42.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.132 1.373 . . . . 0.0 111.277 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.09 -126.29 38.3 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.824 0.726 . . . . 0.0 112.483 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -55.37 -27.51 47.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.495 1.118 . . . . 0.0 113.672 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -75.81 -29.08 58.57 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.107 0.867 . . . . 0.0 112.587 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.16 -43.38 61.61 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.662 0.785 . . . . 0.0 109.986 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.29 -43.1 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 110.706 172.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.14 -41.6 97.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.656 1.182 . . . . 0.0 112.351 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -41.29 77.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 112.623 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.53 -40.66 96.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.49 -0.756 . . . . 0.0 111.437 173.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -63.66 -37.12 86.12 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.46 1.027 . . . . 0.0 112.867 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.39 -33.69 76.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.086 0.955 . . . . 0.0 112.259 177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -87.47 -44.75 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.243 1.017 . . . . 0.0 112.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -88.43 -19.62 26.31 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -173.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.97 -146.17 49.07 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.689 1.138 . . . . 0.0 114.172 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -57.61 -26.47 61.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.48 1.512 . . . . 0.0 114.472 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.08 -20.51 62.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.551 1.14 . . . . 0.0 113.408 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.85 -175.18 54.58 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.685 1.136 . . . . 0.0 114.351 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -157.82 163.36 38.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.061 1.344 . . . . 0.0 112.746 -170.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -90.01 145.1 25.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.391 1.476 . . . . 0.0 111.222 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -139.52 138.24 36.16 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.194 1.397 . . . . 0.0 109.941 171.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -75.26 118.63 18.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.713 0.805 . . . . 0.0 111.737 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -67.58 154.22 93.6 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.423 1.089 . . . . 0.0 112.778 -177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.34 -25.89 63.83 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.182 2.588 . . . . 0.0 114.87 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 N--CA 1.482 1.132 0 C-N-CA 126.261 1.825 . . . . 0.0 112.255 -176.003 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.97 -39.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.67 -30.68 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.532 -0.73 . . . . 0.0 112.449 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.74 -14.83 63.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.668 1.187 . . . . 0.0 113.156 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -102.39 -54.47 2.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.109 1.363 . . . . 0.0 111.786 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.1 -28.32 39.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -168.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.98 -30.72 28.0 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.75 0.705 . . . . 0.0 111.698 173.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 m -87.54 -41.6 13.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.762 1.225 . . . . 0.0 113.406 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -130.25 3.56 4.74 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt 67.71 148.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.054 2.142 . . . . 0.0 113.349 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -132.63 141.04 48.46 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.651 1.58 . . . . 0.0 113.241 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.1 p -86.81 165.09 16.26 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.242 1.417 . . . . 0.0 109.843 168.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -53.9 -28.53 37.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -70.41 -29.97 66.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.795 0.838 . . . . 0.0 112.545 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -74.72 -36.11 62.68 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.273 0.629 . . . . 0.0 111.164 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.66 -36.92 79.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.43 0.692 . . . . 0.0 111.843 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.72 -18.28 53.43 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.54 -16.68 63.92 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.248 -0.907 . . . . 0.0 113.208 175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -115.38 3.3 14.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.521 1.529 . . . . 0.0 114.301 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.6 m -74.5 149.25 40.36 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.151 -0.968 . . . . 0.0 112.688 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.263 0.7 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.743 2.417 . . . . 0.0 115.245 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 p90 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.8 163.07 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.556 . . . . 0.0 111.639 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -111.05 58.87 0.61 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.198 1.399 . . . . 0.0 109.347 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -122.58 47.38 1.95 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.66 1.584 . . . . 0.0 114.109 -169.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 p80 44.87 52.0 8.27 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.082 1.753 . . . . 0.0 114.295 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.478 HD22 ' H ' ' B' ' 6' ' ' LEU . 2.1 mm? -65.16 135.94 56.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.904 1.282 . . . . 0.0 110.508 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.51 140.54 33.5 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.66 1.184 . . . . 0.0 111.593 -173.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.98 -121.29 18.2 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.866 0.746 . . . . 0.0 112.853 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -51.63 -37.07 48.51 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.355 1.462 . . . . 0.0 113.306 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -73.73 -29.56 62.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.572 0.749 . . . . 0.0 112.585 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.94 -43.84 42.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.425 0.69 . . . . 0.0 110.788 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 m -68.06 -31.82 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.65 -39.21 90.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.409 0.683 . . . . 0.0 111.758 171.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 -38.21 63.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.16 0.584 . . . . 0.0 111.844 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 tp -65.25 -43.3 91.81 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.694 1.198 . . . . 0.0 111.012 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.27 -39.74 93.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.812 0.845 . . . . 0.0 112.368 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.62 -28.3 66.78 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.663 -0.648 . . . . 0.0 112.375 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -84.24 -44.47 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.164 0.985 . . . . 0.0 112.165 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.03 -23.65 38.46 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.65 -148.65 47.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.106 1.336 . . . . 0.0 114.249 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.42 -7.13 17.38 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -80.12 -8.85 59.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.011 1.324 . . . . 0.0 113.578 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.58 175.34 40.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.095 1.331 . . . . 0.0 114.589 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -153.27 163.52 39.76 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.833 1.253 . . . . 0.0 112.823 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -108.14 150.49 27.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.739 1.616 . . . . 0.0 110.689 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -142.24 137.67 30.88 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 0.0 110.789 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -82.64 64.22 7.16 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.997 1.319 . . . . 0.0 112.393 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -56.06 119.0 23.6 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 126.054 1.742 . . . . 0.0 111.575 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.42 -31.24 0.5 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.064 2.509 . . . . 0.0 113.138 -177.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.304 2.242 . . . . 0.0 110.921 -177.834 . . . . . . . . 0 0 . 1 stop_ save_