data_2rs9_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 2rs9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.919 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -62.71 -42.19 99.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.6 1.16 . . . . 0.0 112.55 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.53 -35.85 82.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.655 0.782 . . . . 0.0 111.342 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.48 -33.91 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.892 0.877 . . . . 0.0 112.091 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.56 -45.74 77.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.191 0.905 . . . . 0.0 110.52 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.31 -35.28 79.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.269 0.627 . . . . 0.0 111.414 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -59.06 -52.54 65.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.523 0.729 . . . . 0.0 110.857 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -70.46 -30.41 67.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.623 0.769 . . . . 0.0 112.868 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.5 m -72.15 -43.28 64.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.411 1.085 . . . . 0.0 111.089 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.36 -36.65 78.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.128 0.876 . . . . 0.0 111.998 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.82 -22.66 64.23 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -79.62 -39.04 32.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.299 0.954 . . . . 0.0 111.413 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.87 -32.05 73.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.704 1.138 . . . . 0.0 112.136 172.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.89 -19.73 65.98 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -89.44 5.94 43.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.183 0.993 . . . . 0.0 112.885 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -102.34 -4.06 26.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 113.062 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -117.49 91.81 3.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.134 1.774 . . . . 0.0 110.183 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -92.46 -3.12 55.68 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.796 1.239 . . . . 0.0 114.255 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.87 -10.59 56.27 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.182 1.372 . . . . 0.0 114.182 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 56.69 31.4 19.24 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.323 1.849 . . . . 0.0 113.328 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.46 -32.03 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.888 1.275 . . . . 0.0 111.722 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.36 -19.62 12.55 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.821 1.648 . . . . 0.0 112.046 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.8 m -49.29 -27.01 3.44 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.03 1.732 . . . . 0.0 114.221 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.6 158.57 75.25 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 126.933 2.093 . . . . 0.0 111.508 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.74 149.09 90.23 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.537 3.491 . . . . 0.0 111.946 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.93 125.82 88.69 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.839 . . . . 0.0 109.63 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.06 110.68 2.88 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.276 2.651 . . . . 0.0 110.592 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -69.11 -21.84 64.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.033 0.533 . . . . 0.0 112.27 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.96 -18.69 58.64 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 113.946 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.92 2.7 11.04 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.981 1.312 . . . . 0.0 114.132 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 17.9 t -148.03 81.93 8.01 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.643 1.577 . . . . 0.0 109.746 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.26 -15.69 15.9 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.919 2.412 . . . . 0.0 112.965 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -94.31 3.39 55.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.296 1.438 . . . . 0.0 113.496 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.02 -41.67 78.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.971 -1.08 . . . . 0.0 112.375 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.88 -19.48 58.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.986 1.314 . . . . 0.0 113.282 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.11 -17.79 36.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.716 1.206 . . . . 0.0 112.929 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.91 -26.59 11.15 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.538 1.135 . . . . 0.0 113.592 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.34 116.6 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.108 1.363 . . . . 0.0 109.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -72.24 -29.5 63.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -142.66 75.39 18.57 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.445 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.56 141.54 31.4 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.106 2.537 . . . . 0.0 111.437 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 67.7 mmm -149.83 168.16 24.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.808 2.043 . . . . 0.0 111.509 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -167.38 167.9 13.54 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.221 2.208 . . . . 0.0 111.262 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.39 -27.52 69.06 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -69.59 -40.45 76.67 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.816 0.735 . . . . 0.0 110.767 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 29.5 m -68.21 -37.87 81.34 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 111.304 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 58.6 mmm -55.22 -54.08 47.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.752 0.821 . . . . 0.0 111.041 170.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -58.28 -46.79 85.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.881 0.873 . . . . 0.0 113.292 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.938 0.895 . . . . 0.0 111.726 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.73 -41.15 90.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.614 0.766 . . . . 0.0 111.702 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.02 -45.46 77.46 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.88 -1.138 . . . . 0.0 111.686 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -66.55 -15.2 63.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.095 0.958 . . . . 0.0 113.357 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.71 14.35 32.17 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.164 1.786 . . . . 0.0 113.103 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 62.36 30.34 17.38 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.934 1.694 . . . . 0.0 113.45 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.14 -15.63 55.31 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 113.303 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -113.73 100.98 8.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.194 1.398 . . . . 0.0 111.696 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -3.95 21.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.647 1.579 . . . . 0.0 113.133 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -142.7 143.06 32.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.174 1.79 . . . . 0.0 109.945 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -67.02 -26.42 66.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.883 0.473 . . . . 0.0 112.222 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.71 -43.04 80.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.156 1.382 . . . . 0.0 112.655 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -72.87 -40.51 65.57 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.657 0.662 . . . . 0.0 111.812 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.84 -36.24 82.58 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.981 0.912 . . . . 0.0 111.959 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.36 -44.03 65.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 111.79 172.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.2 -34.91 75.63 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.011 -1.056 . . . . 0.0 113.744 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -70.71 -29.1 65.28 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.521 -0.737 . . . . 0.0 112.661 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.89 -44.83 79.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.243 0.929 . . . . 0.0 110.826 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -57.96 -38.71 76.53 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.752 -0.593 . . . . 0.0 111.918 172.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.86 -45.15 95.67 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 111.642 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.14 -44.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.619 1.167 . . . . 0.0 111.603 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.62 -55.53 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.549 0.74 . . . . 0.0 110.476 172.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -35.0 77.04 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.82 -22.52 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.829 -1.169 . . . . 0.0 113.485 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.82 -53.42 10.28 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.478 0.581 . . . . 0.0 109.712 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.24 -26.24 62.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.163 1.785 . . . . 0.0 113.149 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -80.9 -15.07 57.3 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.67 1.588 . . . . 0.0 115.151 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -137.2 63.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.233 1.413 . . . . 0.0 113.236 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.41 168.5 20.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.377 1.471 . . . . 0.0 112.881 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.68 152.59 19.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.392 1.077 . . . . 0.0 109.747 169.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.02 20.56 0.05 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.627 1.971 . . . . 0.0 115.993 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -147.96 6.28 0.79 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.856 1.662 . . . . 0.0 113.958 -169.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.0 p -90.7 162.8 14.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.901 0.881 . . . . 0.0 112.739 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.43 -43.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.016 0.926 . . . . 0.0 111.11 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -67.11 -40.65 86.9 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.703 1.201 . . . . 0.0 111.966 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -57.86 -51.66 68.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.256 1.022 . . . . 0.0 111.13 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -70.95 -27.63 63.88 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.78 82.13 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.107 -0.996 . . . . 0.0 112.472 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.36 74.51 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.488 -0.758 . . . . 0.0 112.019 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.23 -38.47 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.4 0.68 . . . . 0.0 111.007 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.3 -45.58 87.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.521 0.728 . . . . 0.0 111.954 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.3 -44.29 92.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.845 0.858 . . . . 0.0 112.412 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -56.65 -32.7 65.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.562 1.145 . . . . 0.0 113.113 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.31 -62.82 1.38 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.166 1.386 . . . . 0.0 111.588 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.73 -48.35 64.02 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 112.635 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.59 -9.66 86.63 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.691 -0.631 . . . . 0.0 113.098 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.3 91.6 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.275 1.038 . . . . 0.0 111.206 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.65 82.58 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.37 1.068 . . . . 0.0 112.772 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 99.7 t -61.2 -37.35 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.089 0.956 . . . . 0.0 111.181 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.47 -31.01 66.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.384 0.674 . . . . 0.0 111.981 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.17 -54.75 11.56 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.74 1.155 . . . . 0.0 113.374 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.17 -22.28 62.72 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.642 1.177 . . . . 0.0 113.15 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.069 0.948 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -58.44 -40.88 83.77 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.75 1.22 . . . . 0.0 112.177 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -62.88 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -75.87 -22.14 56.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.37 1.068 . . . . 0.0 112.52 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.18 -44.64 10.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.916 1.286 . . . . 0.0 111.913 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.25 -32.87 73.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.161 0 CA-C-O 119.72 -0.489 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -54.59 -40.1 68.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.843 1.257 . . . . 0.0 112.489 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.81 -19.09 62.04 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.983 0.913 . . . . 0.0 113.458 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.19 -34.45 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.482 0.713 . . . . 0.0 110.776 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.99 -40.07 83.74 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.761 -0.587 . . . . 0.0 110.485 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.78 -44.23 77.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.235 0.614 . . . . 0.0 111.546 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -65.24 -40.54 94.17 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.97 0.805 . . . . 0.0 111.926 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.53 -30.35 70.64 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 112.862 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 32.2 m -73.1 -46.44 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.53 1.132 . . . . 0.0 110.645 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.4 tp -57.85 -38.59 75.94 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 112.909 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.55 -23.37 64.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.561 0.745 . . . . 0.0 112.905 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -83.44 -25.02 31.6 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 120.958 -1.089 . . . . 0.0 113.203 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.92 -22.02 65.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.136 . . . . 0.0 112.237 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -73.8 -20.79 60.36 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.367 -0.833 . . . . 0.0 112.895 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.71 6.54 8.67 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.924 0.89 . . . . 0.0 112.704 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -117.19 1.53 12.5 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.397 1.879 . . . . 0.0 112.99 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -126.55 83.66 2.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.003 2.121 . . . . 0.0 109.115 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.3 t -84.3 -5.68 59.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.754 1.222 . . . . 0.0 113.872 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.9 -12.39 60.52 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.535 1.54 . . . . 0.0 113.666 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 59.77 25.99 15.08 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.482 1.913 . . . . 0.0 113.022 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -71.6 -34.46 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.447 1.499 . . . . 0.0 112.122 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -108.47 -18.6 13.7 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.024 1.33 . . . . 0.0 112.22 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -54.38 -24.08 18.23 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.139 1.376 . . . . 0.0 114.112 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.15 152.73 80.69 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.864 1.666 . . . . 0.0 112.406 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.5 149.78 62.68 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 125.01 3.806 . . . . 0.0 113.312 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.23 125.1 91.17 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 124.399 1.08 . . . . 0.0 109.876 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 124.53 7.56 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 0.0 111.745 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.92 -16.94 62.12 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 27.9 m -68.63 -27.33 65.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.879 0.872 . . . . 0.0 112.559 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -94.04 -34.0 13.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.28 1.032 . . . . 0.0 112.017 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.16 81.2 69.19 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 110.098 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.01 -14.56 16.87 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.227 2.618 . . . . 0.0 112.988 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -98.82 11.9 37.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.676 1.59 . . . . 0.0 112.918 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -56.81 -38.24 72.31 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.864 -1.147 . . . . 0.0 112.512 -175.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.52 -20.18 54.65 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.272 1.429 . . . . 0.0 113.231 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.72 -25.13 41.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.6 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -99.58 -29.59 12.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.131 0.972 . . . . 0.0 113.424 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 121.28 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.821 1.248 . . . . 0.0 111.133 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -75.14 -31.16 60.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.92 1.288 . . . . 0.0 114.106 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -141.05 73.49 26.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.035 1.734 . . . . 0.0 111.225 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.46 135.65 16.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.721 2.947 . . . . 0.0 111.483 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.9 tpt -148.4 157.68 43.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.393 1.077 . . . . 0.0 113.507 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -151.74 166.38 31.52 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 112.025 -174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.19 -30.27 70.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.56 -39.55 84.95 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.794 0.724 . . . . 0.0 110.729 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -34.78 76.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.399 1.08 . . . . 0.0 111.464 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 61.6 mmm -57.16 -55.01 40.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.895 0.878 . . . . 0.0 110.617 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.85 -42.54 98.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 112.68 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -61.7 -48.38 81.05 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.498 1.119 . . . . 0.0 111.77 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.61 -35.14 79.94 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.42 -43.65 66.36 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.403 -0.811 . . . . 0.0 111.853 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.58 -10.28 59.6 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.818 0.847 . . . . 0.0 113.027 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.38 1.46 49.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.733 1.613 . . . . 0.0 113.343 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 64.4 41.87 5.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.732 1.613 . . . . 0.0 112.652 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -93.91 -13.47 27.1 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.367 1.067 . . . . 0.0 113.763 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -92.39 -67.69 0.84 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.036 0.935 . . . . 0.0 113.005 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 2.71 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.751 2.421 . . . . 0.0 115.693 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -153.51 139.3 18.01 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.637 1.975 . . . . 0.0 108.838 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.64 -27.29 69.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.031 0.533 . . . . 0.0 111.206 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -65.44 -26.6 68.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 113.26 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -89.91 -37.62 14.27 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.272 1.029 . . . . 0.0 111.655 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -63.51 -39.42 94.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.388 1.075 . . . . 0.0 112.336 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.18 -40.01 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.547 1.139 . . . . 0.0 111.895 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.07 -31.75 70.73 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.211 -0.93 . . . . 0.0 113.299 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.56 -26.29 59.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.684 -0.635 . . . . 0.0 112.638 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.07 -41.61 73.92 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.109 -0.994 . . . . 0.0 110.741 169.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -58.92 -29.78 67.35 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.255 0.622 . . . . 0.0 112.185 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.48 -45.55 90.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.011 0.925 . . . . 0.0 111.721 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.33 -47.17 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.546 1.139 . . . . 0.0 110.975 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.03 -50.43 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.225 1.01 . . . . 0.0 110.352 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.3 t -58.43 -39.29 79.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.995 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -59.55 -29.65 68.07 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.027 -1.045 . . . . 0.0 113.559 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 17.8 t -79.9 -42.78 23.46 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.761 0.71 . . . . 0.0 111.67 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.62 -20.36 64.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.008 0.923 . . . . 0.0 112.324 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -89.21 -19.06 25.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -149.75 69.44 1.03 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.039 1.335 . . . . 0.0 112.956 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.68 152.88 5.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.173 1.789 . . . . 0.0 110.508 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.9 32.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.909 0.862 . . . . 0.0 112.666 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 6.07 1.64 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 117.245 2.313 . . . . 0.0 117.245 -169.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.21 16.95 1.07 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.751 1.22 . . . . 0.0 114.139 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.5 p -94.0 162.81 13.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.575 1.15 . . . . 0.0 112.941 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.47 -42.74 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.368 1.067 . . . . 0.0 111.054 169.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -67.05 -43.98 81.32 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.78 1.232 . . . . 0.0 111.842 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.24 -44.3 95.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.117 0.567 . . . . 0.0 110.799 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.1 -35.79 82.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.174 0.99 . . . . 0.0 113.228 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.9 72.72 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.454 1.024 . . . . 0.0 112.539 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.65 75.78 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.693 -0.63 . . . . 0.0 112.593 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.55 -41.77 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 0.0 110.602 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.479 0.712 . . . . 0.0 111.534 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.14 -46.02 92.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.057 0.943 . . . . 0.0 112.639 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -59.71 -31.31 69.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.445 1.098 . . . . 0.0 113.339 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -89.0 -65.6 1.0 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.768 1.227 . . . . 0.0 111.679 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -69.75 -47.01 64.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.619 0.768 . . . . 0.0 112.538 -169.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.52 -13.03 79.33 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.64 0.654 . . . . 0.0 113.282 176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.0 -33.02 86.12 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 118.167 0.984 . . . . 0.0 110.646 169.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.68 81.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.916 0.886 . . . . 0.0 112.08 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.0 -39.87 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.892 0.877 . . . . 0.0 111.746 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.08 -40.16 82.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.491 0.716 . . . . 0.0 111.386 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -68.24 -45.14 74.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.091 0.956 . . . . 0.0 113.205 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.22 -35.24 77.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.282 1.033 . . . . 0.0 112.067 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.58 -25.13 22.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.742 0.817 . . . . 0.0 112.666 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -61.15 -27.5 68.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.719 1.208 . . . . 0.0 112.394 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -64.01 -22.3 66.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -70.59 -26.03 63.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.15 15.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.424 1.09 . . . . 0.0 112.122 171.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -66.14 -34.15 77.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -58.32 -39.88 80.57 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.129 0.965 . . . . 0.0 112.348 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.19 -20.19 64.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.939 0.896 . . . . 0.0 112.922 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.6 -37.8 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.896 0.878 . . . . 0.0 111.14 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 64.9 mt -52.86 -39.6 62.73 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.091 0.957 . . . . 0.0 111.798 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.85 -27.9 65.22 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.52 0.728 . . . . 0.0 111.535 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -69.74 -48.66 58.62 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.743 0.817 . . . . 0.0 110.028 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -34.85 76.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.489 1.116 . . . . 0.0 112.107 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -76.52 -48.01 20.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.477 1.111 . . . . 0.0 111.389 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.94 -39.92 79.24 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.669 1.122 . . . . 0.0 112.663 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.13 -27.51 65.63 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -74.88 -31.75 61.68 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.526 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.53 -31.88 73.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.302 0.956 . . . . 0.0 112.191 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -71.82 -22.38 61.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.957 0.799 . . . . 0.0 112.906 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.092 0.86 . . . . 0.0 112.697 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.14 -9.12 56.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.374 1.07 . . . . 0.0 113.872 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -108.85 79.79 1.26 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.971 1.708 . . . . 0.0 110.059 171.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -84.49 -5.67 59.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.628 1.171 . . . . 0.0 113.957 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.07 -10.49 64.37 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.481 1.515 . . . . 0.0 113.772 169.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.46 24.73 14.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.663 1.985 . . . . 0.0 113.143 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.71 -35.64 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.321 1.449 . . . . 0.0 112.111 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -110.03 -20.79 12.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 112.225 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -60.47 -19.64 57.3 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.833 1.253 . . . . 0.0 113.701 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -125.62 153.09 72.82 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.787 1.635 . . . . 0.0 111.77 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.47 144.53 61.53 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 124.56 3.506 . . . . 0.0 112.341 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -61.12 126.53 86.24 Favored Pre-proline 0 N--CA 1.482 1.127 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.574 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.74 111.08 3.21 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.507 2.805 . . . . 0.0 111.051 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.27 -19.95 61.61 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -26.35 68.5 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.258 1.023 . . . . 0.0 113.042 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.97 1.67 14.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.044 1.338 . . . . 0.0 114.027 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 t -143.4 75.4 16.78 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.494 1.518 . . . . 0.0 110.102 172.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.15 -10.29 16.45 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.144 2.563 . . . . 0.0 113.471 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.82 5.31 38.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.717 1.207 . . . . 0.0 113.018 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.83 -44.28 81.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.497 1.119 . . . . 0.0 112.257 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.78 -19.9 60.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.362 1.465 . . . . 0.0 113.235 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.85 -20.53 35.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.438 1.095 . . . . 0.0 112.712 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -104.29 -36.48 7.6 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 113.37 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.2 119.2 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.428 1.091 . . . . 0.0 110.18 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -75.67 -28.21 58.61 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -139.9 81.2 19.46 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.9 1.68 . . . . 0.0 109.564 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -81.72 138.55 10.66 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.465 2.776 . . . . 0.0 111.186 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.0 ttt -163.12 154.09 16.85 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -170.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -146.54 172.67 13.21 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.406 2.282 . . . . 0.0 110.573 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -57.48 -29.92 64.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.79 -40.86 96.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.083 0.553 . . . . 0.0 111.38 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 27.2 m -67.68 -39.21 84.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.713 1.205 . . . . 0.0 111.296 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.0 mtp -59.95 -51.82 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.217 0.462 . . . . 0.0 111.495 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -55.19 -46.18 75.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.604 1.162 . . . . 0.0 112.887 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -63.77 -46.13 86.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.095 0.958 . . . . 0.0 112.129 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.4 -40.61 97.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.271 0.628 . . . . 0.0 112.15 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.97 -41.13 82.86 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.007 -1.058 . . . . 0.0 111.863 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.2 -10.21 52.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.358 1.063 . . . . 0.0 113.52 173.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.47 7.44 37.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.721 1.608 . . . . 0.0 113.047 171.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 64.66 27.92 13.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.558 1.943 . . . . 0.0 113.647 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -74.57 -13.35 60.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.298 . . . . 0.0 113.68 -171.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -104.2 105.1 15.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.359 1.464 . . . . 0.0 111.522 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.63 -6.51 27.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.887 1.275 . . . . 0.0 113.479 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -150.64 157.94 43.57 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.746 1.218 . . . . 0.0 110.8 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -67.94 -22.55 65.04 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.18 -47.87 83.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.617 1.167 . . . . 0.0 112.467 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -74.66 -31.95 62.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.495 0.718 . . . . 0.0 112.291 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.52 -40.07 85.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.546 1.138 . . . . 0.0 111.79 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.37 -42.0 75.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.562 1.145 . . . . 0.0 111.491 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.65 -33.48 75.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.987 0.915 . . . . 0.0 113.311 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -73.56 -22.02 60.19 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.03 -43.45 62.03 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.087 -1.008 . . . . 0.0 109.588 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -58.56 -32.98 69.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.384 0.673 . . . . 0.0 111.989 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.86 -44.8 96.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.863 0.865 . . . . 0.0 111.934 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.05 -41.24 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.357 1.063 . . . . 0.0 111.305 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.61 -56.13 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.423 0.689 . . . . 0.0 110.483 172.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -65.76 -29.17 69.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.95 70.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.932 1.693 . . . . 0.0 111.562 170.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 47.8 t -80.47 -42.98 21.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.163 0.585 . . . . 0.0 111.678 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.87 -22.01 66.72 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.748 0.819 . . . . 0.0 112.073 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -78.74 -51.58 9.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.554 1.142 . . . . 0.0 112.993 169.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -103.66 63.0 0.77 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.394 1.077 . . . . 0.0 113.067 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.1 160.76 10.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.584 1.154 . . . . 0.0 112.721 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.7 172.97 11.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.015 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -89.15 7.04 37.24 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -138.39 30.95 2.37 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.858 1.663 . . . . 0.0 112.606 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 71.7 p -121.98 162.33 21.3 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.576 1.551 . . . . 0.0 112.691 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.16 -44.27 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.784 1.234 . . . . 0.0 112.233 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -67.46 -42.01 83.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.046 0.939 . . . . 0.0 112.523 -169.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -59.16 -45.83 89.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.355 0.662 . . . . 0.0 111.125 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.83 0.852 . . . . 0.0 113.169 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.76 78.02 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.452 1.024 . . . . 0.0 112.13 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.66 76.11 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.603 -0.686 . . . . 0.0 112.597 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.19 -39.81 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.213 0.605 . . . . 0.0 110.918 170.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.35 -37.09 85.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.482 0.713 . . . . 0.0 112.168 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.06 -46.5 77.56 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.086 0.954 . . . . 0.0 111.973 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -58.08 -33.04 68.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.307 1.043 . . . . 0.0 113.144 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.15 -67.21 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.888 1.275 . . . . 0.0 111.536 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.39 -45.64 68.79 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -169.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.07 -13.76 78.5 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.645 0.657 . . . . 0.0 113.242 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.26 89.44 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 169.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.61 -40.76 84.69 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.665 0.786 . . . . 0.0 111.747 169.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.25 -38.27 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.22 1.008 . . . . 0.0 111.911 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.69 -40.42 76.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.293 0.637 . . . . 0.0 111.459 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -72.47 -41.18 66.32 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.06 -34.19 77.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.624 0.77 . . . . 0.0 112.057 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.53 -27.4 20.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.939 0.896 . . . . 0.0 112.236 -170.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -58.58 -30.84 67.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.381 1.073 . . . . 0.0 111.563 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.38 -24.71 66.68 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.61 -19.79 60.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 112.746 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.56 -37.22 12.01 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.248 1.419 . . . . 0.0 112.822 171.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.09 -33.23 75.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.797 0.839 . . . . 0.0 112.948 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 CA-C-O 119.986 -0.341 . . . . 0.0 113.114 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.55 -36.3 73.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.833 1.253 . . . . 0.0 112.654 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.35 -20.69 62.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.96 0.904 . . . . 0.0 113.129 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.8 -32.91 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.166 0.987 . . . . 0.0 110.601 171.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.25 -44.11 92.8 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.701 -0.624 . . . . 0.0 110.605 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.57 -45.54 65.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.56 0.344 . . . . 0.0 111.533 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -62.81 -28.77 70.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.35 -46.33 20.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.882 0.873 . . . . 0.0 112.38 171.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -62.42 -40.58 97.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.915 1.286 . . . . 0.0 111.862 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.77 -34.39 69.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -70.42 -28.18 64.85 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.251 0.62 . . . . 0.0 112.01 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -75.45 -30.11 59.87 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.671 0.788 . . . . 0.0 111.593 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.03 -27.41 67.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.998 0.817 . . . . 0.0 112.65 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.34 -22.61 59.15 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.034 0.833 . . . . 0.0 112.696 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.87 -18.83 62.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.977 0.808 . . . . 0.0 112.502 170.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.83 1.31 54.28 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.973 1.309 . . . . 0.0 113.572 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -123.03 79.2 1.63 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.362 1.865 . . . . 0.0 109.753 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.8 t -82.45 -6.23 59.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.87 1.268 . . . . 0.0 113.843 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.04 -12.42 61.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.515 1.531 . . . . 0.0 113.693 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 60.01 28.33 17.85 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.29 1.836 . . . . 0.0 112.978 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.8 mt -76.31 -30.94 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.907 1.683 . . . . 0.0 111.779 -174.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -113.94 -13.74 12.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.995 1.718 . . . . 0.0 112.755 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -60.87 -18.88 58.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.167 1.387 . . . . 0.0 113.861 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -133.83 158.11 76.24 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 112.082 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.75 152.1 74.23 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.624 3.549 . . . . 0.0 111.984 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -67.15 129.6 93.85 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 110.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.55 112.59 3.26 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.34 2.693 . . . . 0.0 110.819 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.11 -24.23 63.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.234 0.613 . . . . 0.0 112.307 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -62.46 -17.81 60.33 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.956 1.303 . . . . 0.0 113.931 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.65 4.47 10.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.211 1.405 . . . . 0.0 113.926 171.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 t -149.55 77.41 8.78 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.677 1.591 . . . . 0.0 108.964 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.28 -11.75 14.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.067 2.511 . . . . 0.0 113.365 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.94 2.85 49.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.38 1.072 . . . . 0.0 112.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.77 -40.99 73.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.539 1.135 . . . . 0.0 112.434 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.21 -21.66 58.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.086 1.354 . . . . 0.0 113.367 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -84.74 -24.25 28.92 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.514 1.125 . . . . 0.0 112.533 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -97.53 -37.74 9.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.405 1.082 . . . . 0.0 112.665 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.7 118.44 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.525 1.13 . . . . 0.0 109.971 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.41 -27.97 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.222 1.009 . . . . 0.0 113.616 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -137.96 83.81 22.56 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.261 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.37 123.66 7.26 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.989 1.793 . . . . 0.0 109.356 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.56 164.51 38.11 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -169.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -168.33 174.54 6.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.012 1.725 . . . . 0.0 112.69 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.87 -25.32 68.11 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -70.44 -37.77 74.41 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.907 1.23 . . . . 0.0 110.924 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.6 m -69.51 -36.51 76.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.362 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.04 -54.43 43.12 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.944 0.793 . . . . 0.0 110.155 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -56.17 -46.38 79.35 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 113.0 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.58 -44.66 89.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.839 0.856 . . . . 0.0 112.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -66.81 -30.52 70.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -77.38 -39.29 47.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.379 1.072 . . . . 0.0 112.183 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.94 -15.96 63.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.354 1.062 . . . . 0.0 112.992 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.01 -7.34 22.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.715 1.606 . . . . 0.0 113.461 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 71.92 51.84 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.176 2.191 . . . . 0.0 112.188 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -15.15 39.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.852 1.261 . . . . 0.0 114.211 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -83.38 -78.22 0.23 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.904 0.882 . . . . 0.0 113.369 -170.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 67.29 -0.68 1.73 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.03 2.532 . . . . 0.0 115.287 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -148.22 138.89 22.95 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 126.581 1.952 . . . . 0.0 108.896 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -66.71 -24.76 66.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.219 0.608 . . . . 0.0 111.529 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.53 -39.92 85.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.979 0.912 . . . . 0.0 112.068 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -75.51 -38.13 59.65 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.235 1.014 . . . . 0.0 112.167 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.28 -37.7 87.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 111.936 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.37 -40.86 66.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.937 1.295 . . . . 0.0 111.742 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.12 -32.55 70.63 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.065 -1.022 . . . . 0.0 113.693 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -74.49 -30.79 61.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.514 -0.741 . . . . 0.0 111.784 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.0 -43.56 98.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.849 -1.157 . . . . 0.0 111.01 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -58.4 -32.25 68.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.541 0.736 . . . . 0.0 112.457 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.3 -39.94 94.93 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.126 0.971 . . . . 0.0 112.323 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.9 mt -69.62 -39.48 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.844 1.257 . . . . 0.0 111.061 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.36 -52.35 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.287 0.635 . . . . 0.0 109.751 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -59.8 -34.14 72.65 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.598 1.159 . . . . 0.0 113.75 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -34.82 62.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.768 1.227 . . . . 0.0 113.164 174.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.6 t -79.51 -49.95 11.49 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.355 0.525 . . . . 0.0 110.784 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.47 -24.93 49.16 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.046 1.339 . . . . 0.0 112.657 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -91.74 -18.57 23.72 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.545 1.938 . . . . 0.0 114.445 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -136.02 75.45 1.55 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.561 1.544 . . . . 0.0 111.953 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -160.49 -167.88 2.0 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.392 1.477 . . . . 0.0 112.812 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -138.63 162.77 33.8 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.995 1.718 . . . . 0.0 110.196 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -68.35 2.22 2.44 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.81 9.45 3.07 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.156 1.382 . . . . 0.0 114.059 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.6 p -89.22 158.22 17.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.843 0.857 . . . . 0.0 112.628 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -61.33 -40.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.337 1.055 . . . . 0.0 111.637 169.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -67.71 -36.8 81.28 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.709 1.204 . . . . 0.0 112.749 -172.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -56.59 -54.81 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.159 0.983 . . . . 0.0 110.979 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.79 -29.01 68.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.13 0.972 . . . . 0.0 112.96 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.25 86.92 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.414 1.006 . . . . 0.0 112.631 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.22 73.18 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.49 -0.756 . . . . 0.0 112.221 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.2 -37.73 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.309 0.644 . . . . 0.0 111.053 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -60.17 -44.77 94.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.884 0.874 . . . . 0.0 111.92 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.71 -45.65 93.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.914 0.886 . . . . 0.0 112.2 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -58.15 -31.0 66.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.898 0.879 . . . . 0.0 113.139 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.1 -64.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.823 1.249 . . . . 0.0 111.724 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.22 -40.51 71.07 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.75 -8.15 87.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.63 0.65 . . . . 0.0 113.07 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.13 94.32 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.338 1.069 . . . . 0.0 110.68 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.41 90.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.607 0.763 . . . . 0.0 112.055 170.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.21 -39.72 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.733 0.813 . . . . 0.0 111.182 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.4 -36.04 76.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.567 0.747 . . . . 0.0 111.478 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -68.33 -52.48 33.0 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.387 0.994 . . . . 0.0 113.445 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -61.86 -36.41 81.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.21 1.004 . . . . 0.0 111.708 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.84 -28.37 24.48 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.049 0.939 . . . . 0.0 111.787 -170.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.72 -32.42 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 111.623 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -64.96 -24.63 67.58 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.168 -0.957 . . . . 0.0 113.467 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -71.1 -23.82 62.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.98 0.912 . . . . 0.0 112.492 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -43.33 12.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 111.912 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -65.75 -34.34 77.96 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -58.32 -47.51 83.5 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.762 1.225 . . . . 0.0 112.362 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -23.15 67.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.37 1.068 . . . . 0.0 112.865 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mt -80.14 -37.89 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.02 1.328 . . . . 0.0 110.873 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.68 -42.49 75.24 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.718 0.807 . . . . 0.0 110.617 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.55 -32.95 72.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.955 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -59.55 -52.72 64.33 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.147 0.885 . . . . 0.0 110.372 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.71 -35.31 80.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.49 1.116 . . . . 0.0 113.03 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 m -72.92 -47.88 41.87 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.771 1.229 . . . . 0.0 111.072 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.92 -39.44 77.98 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.32 -22.14 64.72 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -82.88 -28.73 29.81 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.321 0.964 . . . . 0.0 112.236 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.59 -31.6 72.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.016 1.28 . . . . 0.0 111.466 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -69.71 -23.13 63.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.479 0.712 . . . . 0.0 112.768 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.26 -18.51 60.07 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.131 0.878 . . . . 0.0 112.575 172.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.02 6.76 38.19 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.028 1.331 . . . . 0.0 113.736 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -121.9 79.47 1.58 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.791 1.637 . . . . 0.0 109.929 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 70.5 p -83.25 -5.74 59.23 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.431 1.492 . . . . 0.0 114.197 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -12.7 58.1 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.138 1.828 . . . . 0.0 113.959 169.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.4 28.22 17.85 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 112.968 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -76.45 -28.94 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.75 1.62 . . . . 0.0 111.89 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -115.7 -17.18 11.16 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.107 1.763 . . . . 0.0 112.515 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -58.58 -23.77 59.37 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.173 1.389 . . . . 0.0 113.908 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -130.74 152.51 80.63 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.742 1.617 . . . . 0.0 111.656 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.88 146.35 71.56 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.657 3.572 . . . . 0.0 112.826 -174.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.4 124.07 84.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 0.0 109.979 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -75.13 118.03 5.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.24 2.627 . . . . 0.0 111.449 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.15 -17.38 62.55 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.68 0.792 . . . . 0.0 112.778 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -68.06 -27.35 66.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 112.581 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -94.44 -32.61 13.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.379 1.072 . . . . 0.0 112.046 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.8 t -132.87 80.09 61.78 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.024 1.33 . . . . 0.0 110.318 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.31 -14.49 16.41 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.345 2.697 . . . . 0.0 113.443 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.34 4.09 50.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.623 1.169 . . . . 0.0 113.007 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -55.39 -43.38 75.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.113 0.965 . . . . 0.0 112.203 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -76.09 -20.47 57.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.876 1.271 . . . . 0.0 113.432 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.8 -27.79 40.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.08 0.952 . . . . 0.0 112.474 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -94.03 -35.22 12.7 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.29 1.036 . . . . 0.0 113.024 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mm -101.52 113.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.774 1.23 . . . . 0.0 110.35 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.88 -24.66 61.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -149.25 77.94 8.82 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 126.214 1.806 . . . . 0.0 111.58 -174.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.26 152.02 30.42 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.277 3.318 . . . . 0.0 112.184 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -163.45 156.86 19.13 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.763 1.625 . . . . 0.0 112.499 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -151.7 170.55 19.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.815 2.446 . . . . 0.0 110.557 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.38 -23.25 66.71 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.17 -44.91 82.67 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.973 0.806 . . . . 0.0 110.984 172.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 32.5 m -65.34 -39.31 92.23 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.224 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 77.3 mmm -54.15 -54.51 38.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.929 0.892 . . . . 0.0 111.262 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -58.74 -43.47 90.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.733 0.813 . . . . 0.0 112.927 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.5 -44.31 94.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.035 0.834 . . . . 0.0 112.206 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.02 -37.71 85.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.426 0.69 . . . . 0.0 111.876 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.93 69.08 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.796 -1.19 . . . . 0.0 112.139 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.14 -11.94 60.03 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.554 1.142 . . . . 0.0 113.243 174.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 9.72 36.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.115 1.766 . . . . 0.0 113.05 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 63.34 23.77 13.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.101 1.76 . . . . 0.0 113.911 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.6 -24.0 65.44 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 112.952 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -91.84 103.0 15.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.797 1.239 . . . . 0.0 111.785 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.98 -11.98 21.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.301 1.441 . . . . 0.0 113.047 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.64 146.89 31.5 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.395 1.878 . . . . 0.0 110.137 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.6 -26.65 65.48 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.53 -43.84 80.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.64 1.176 . . . . 0.0 112.645 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -72.29 -36.85 69.05 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.686 0.794 . . . . 0.0 112.36 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.96 -36.13 81.51 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.014 0.926 . . . . 0.0 111.779 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.67 -41.69 59.83 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.709 1.204 . . . . 0.0 111.841 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -66.85 -33.55 75.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.074 -1.016 . . . . 0.0 113.055 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -74.31 -25.59 59.65 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.651 -0.655 . . . . 0.0 112.387 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.5 -43.22 70.13 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.95 -1.094 . . . . 0.0 110.296 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -58.12 -31.09 66.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.208 0.603 . . . . 0.0 112.158 172.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.2 -44.04 93.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.879 0.872 . . . . 0.0 111.877 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.26 -47.05 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.122 0.969 . . . . 0.0 110.848 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.17 -52.18 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.989 0.916 . . . . 0.0 110.53 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t -58.79 -45.07 90.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.592 0.757 . . . . 0.0 112.383 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.61 -24.53 67.08 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.193 -0.942 . . . . 0.0 113.471 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -72.42 -50.46 26.18 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.091 0.556 . . . . 0.0 110.987 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.92 -27.95 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 112.213 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -77.76 -13.54 59.86 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.861 1.664 . . . . 0.0 114.833 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -131.85 49.52 2.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.571 1.548 . . . . 0.0 112.649 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -152.07 154.2 35.46 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.041 1.336 . . . . 0.0 111.185 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.32 166.76 21.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.059 0.944 . . . . 0.0 111.342 170.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.52 4.45 3.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -140.79 16.18 2.32 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.644 1.578 . . . . 0.0 115.181 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.8 p -94.2 159.62 15.06 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.126 0.97 . . . . 0.0 112.382 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.72 -38.78 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.416 1.087 . . . . 0.0 112.198 171.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.87 -33.8 70.97 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.971 0.909 . . . . 0.0 112.932 -172.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.78 -46.8 88.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.8 0.44 . . . . 0.0 110.663 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.89 -30.08 66.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.168 0.987 . . . . 0.0 113.264 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.21 74.45 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.366 0.985 . . . . 0.0 112.71 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.82 -33.78 64.3 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.24 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.339 0.656 . . . . 0.0 110.674 171.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -42.29 97.63 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.351 0.66 . . . . 0.0 111.735 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.01 -45.7 91.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.954 0.797 . . . . 0.0 112.432 171.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -58.02 -32.5 68.01 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.254 1.021 . . . . 0.0 113.116 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -85.69 -66.31 0.91 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.881 1.273 . . . . 0.0 111.633 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -70.04 -47.34 62.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.09 -14.24 77.46 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 118.501 0.591 . . . . 0.0 113.105 176.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.66 90.52 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-N 118.186 0.993 . . . . 0.0 110.832 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.86 88.33 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.601 0.76 . . . . 0.0 112.15 169.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.08 -34.41 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.273 1.029 . . . . 0.0 111.836 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 75.8 mt -74.29 -40.32 62.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.794 0.837 . . . . 0.0 111.565 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.51 -37.06 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.561 1.144 . . . . 0.0 113.26 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.12 -35.86 66.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.49 1.116 . . . . 0.0 112.42 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.41 25.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.559 0.744 . . . . 0.0 112.927 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -54.61 -35.04 62.97 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.523 1.529 . . . . 0.0 112.034 169.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -68.13 -22.32 64.88 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -73.1 -20.09 61.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.026 0.931 . . . . 0.0 112.641 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.4 -40.19 12.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.953 0.901 . . . . 0.0 112.449 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.56 -28.96 66.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 CA-C-O 118.999 -0.89 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.67 -43.02 99.86 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.412 1.085 . . . . 0.0 112.614 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.03 -34.17 77.8 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.888 0.875 . . . . 0.0 111.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 56.0 mt -67.77 -32.47 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.188 0.995 . . . . 0.0 112.137 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.98 -41.29 78.1 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.242 0.928 . . . . 0.0 110.936 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.77 -36.08 75.45 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.904 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -58.33 -48.1 81.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.51 0.724 . . . . 0.0 110.925 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -74.26 -19.55 60.46 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -86.35 -42.31 13.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.497 1.119 . . . . 0.0 111.117 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.62 -41.66 77.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.9 -27.92 69.18 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.698 -0.626 . . . . 0.0 112.685 175.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -78.07 -13.84 59.72 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.727 0.811 . . . . 0.0 112.539 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.75 -38.21 17.14 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.701 1.137 . . . . 0.0 108.947 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -64.61 -33.63 76.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.899 0.879 . . . . 0.0 112.599 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.8 -17.43 64.63 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -85.15 -12.08 53.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.444 1.098 . . . . 0.0 112.67 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.09 79.87 2.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.872 1.669 . . . . 0.0 110.025 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -83.13 -6.81 59.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.086 1.354 . . . . 0.0 114.198 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.94 -11.54 61.48 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.024 1.773 . . . . 0.0 114.151 169.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 61.56 26.35 16.08 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.388 1.875 . . . . 0.0 113.151 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -32.51 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.164 1.786 . . . . 0.0 112.14 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -112.38 -15.69 13.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.949 1.7 . . . . 0.0 112.458 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -62.0 -22.62 65.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 113.86 170.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.28 152.16 79.71 Favored Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.632 1.573 . . . . 0.0 112.123 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.38 150.75 64.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.709 3.606 . . . . 0.0 112.764 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.89 123.41 83.6 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.216 1.007 . . . . 0.0 109.681 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.36 119.64 5.63 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.263 2.642 . . . . 0.0 111.292 -175.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.74 -16.76 62.22 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.5 m -68.61 -27.48 66.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.048 0.939 . . . . 0.0 112.684 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -94.73 -34.85 12.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.289 1.036 . . . . 0.0 112.039 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.44 81.99 66.51 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.165 1.386 . . . . 0.0 110.193 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.96 -13.03 17.63 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.199 2.599 . . . . 0.0 113.044 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -99.25 10.21 41.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.604 1.561 . . . . 0.0 113.218 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.18 -36.24 68.14 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.808 -1.182 . . . . 0.0 112.734 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.05 -20.09 56.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.558 1.543 . . . . 0.0 113.483 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.33 -30.95 54.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 112.092 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.6 -37.32 15.74 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.903 0.881 . . . . 0.0 112.477 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.8 mm -118.1 118.43 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.168 1.387 . . . . 0.0 111.081 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -76.36 -27.29 56.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 114.176 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 76.19 30.79 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 125.543 1.537 . . . . 0.0 112.111 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.41 145.86 60.51 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.249 2.632 . . . . 0.0 111.145 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -158.38 153.69 25.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 111.876 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -150.83 171.5 17.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 127.354 2.262 . . . . 0.0 110.237 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.18 -23.39 66.58 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -66.45 -44.82 81.75 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.717 0.69 . . . . 0.0 111.371 171.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -67.05 -38.77 86.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.276 1.031 . . . . 0.0 111.126 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mmm -54.47 -55.25 30.83 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.815 0.846 . . . . 0.0 111.045 170.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.49 -46.67 86.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.831 0.852 . . . . 0.0 112.941 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.25 -45.26 95.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.106 0.962 . . . . 0.0 111.777 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.593 0.757 . . . . 0.0 111.907 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.51 -43.6 76.46 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.017 0.927 . . . . 0.0 111.979 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.32 -12.27 61.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.09 7.18 46.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.783 1.633 . . . . 0.0 113.044 171.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 65.1 28.04 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.498 1.919 . . . . 0.0 113.728 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -68.61 -23.16 64.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.708 1.203 . . . . 0.0 113.379 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.32 100.93 11.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.805 1.242 . . . . 0.0 111.57 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.34 -4.79 44.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.305 1.442 . . . . 0.0 113.01 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -153.44 149.41 27.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.291 1.836 . . . . 0.0 109.97 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.48 -24.93 67.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.306 0.642 . . . . 0.0 111.995 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.12 -42.16 94.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.079 0.952 . . . . 0.0 112.73 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.05 -36.28 64.36 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.859 0.863 . . . . 0.0 112.212 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.74 -38.01 87.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.963 0.905 . . . . 0.0 111.594 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -45.51 67.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.956 1.302 . . . . 0.0 111.27 173.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.42 -35.82 82.06 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.12 -26.13 61.11 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.476 -0.765 . . . . 0.0 112.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.61 -41.21 72.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.043 -1.036 . . . . 0.0 110.447 169.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -58.98 -30.36 67.89 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.651 -0.656 . . . . 0.0 112.066 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 7.5 tp -62.77 -45.64 91.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.048 0.84 . . . . 0.0 111.593 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.27 -47.06 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.149 0.979 . . . . 0.0 110.773 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.21 -57.7 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.042 0.937 . . . . 0.0 110.677 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.3 m -65.46 -31.0 71.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.95 -32.6 74.19 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.255 -0.903 . . . . 0.0 112.538 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -74.01 -42.51 60.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.78 -0.575 . . . . 0.0 111.294 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.94 -29.22 62.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.653 1.181 . . . . 0.0 112.621 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.74 -28.79 66.09 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.602 1.161 . . . . 0.0 113.411 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -129.34 70.06 1.41 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.286 1.434 . . . . 0.0 111.15 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -161.92 154.93 20.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.533 1.533 . . . . 0.0 112.348 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.02 159.74 24.75 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.613 0.721 . . . . 0.0 109.968 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.38 6.24 2.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -169.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -148.81 24.98 0.95 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.762 1.225 . . . . 0.0 113.817 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 82.0 p -88.05 156.9 19.06 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.873 0.844 . . . . 0.0 112.072 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.05 -41.2 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.222 1.009 . . . . 0.0 111.166 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.71 -40.77 84.28 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.819 1.247 . . . . 0.0 112.683 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.21 -49.63 76.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.464 0.706 . . . . 0.0 110.867 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -70.57 -24.12 62.71 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.89 86.16 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.602 1.092 . . . . 0.0 111.674 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.36 74.7 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 112.607 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.85 -41.96 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.602 0.637 . . . . 0.0 110.715 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -67.72 -35.06 78.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.004 0.82 . . . . 0.0 112.703 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.79 -43.4 98.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.216 0.916 . . . . 0.0 111.851 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.76 -32.01 71.33 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.47 -66.13 0.93 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 111.457 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.35 -47.74 66.65 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.732 0.813 . . . . 0.0 112.607 -170.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.63 -10.08 85.64 Favored Glycine 0 CA--C 1.532 1.144 0 O-C-N 121.747 -0.595 . . . . 0.0 113.295 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.24 -35.38 90.29 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.56 0.744 . . . . 0.0 111.738 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.37 -41.24 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 111.543 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.09 -31.09 68.49 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.541 -0.725 . . . . 0.0 112.059 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -71.73 -51.02 24.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.851 0.86 . . . . 0.0 112.526 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.63 -34.65 78.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.271 1.028 . . . . 0.0 112.154 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.26 -23.6 23.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 112.874 -169.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -65.02 -28.61 69.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.389 1.076 . . . . 0.0 112.331 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.07 -27.42 68.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.117 0.967 . . . . 0.0 113.269 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -70.08 -24.45 63.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.386 1.074 . . . . 0.0 112.628 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.91 -43.72 12.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.494 1.118 . . . . 0.0 112.159 170.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -64.84 -31.33 72.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.12 -38.04 75.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.438 1.095 . . . . 0.0 112.643 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.14 -19.6 62.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.161 0.984 . . . . 0.0 113.223 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.22 -28.27 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.129 0.971 . . . . 0.0 110.997 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.42 -49.81 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.548 -0.72 . . . . 0.0 110.106 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.93 -43.38 92.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.892 0.477 . . . . 0.0 111.589 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.22 -33.19 75.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.97 -42.26 63.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.43 0.692 . . . . 0.0 112.351 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.5 m -65.38 -43.55 90.34 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.812 1.245 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.25 -39.36 72.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.934 0.894 . . . . 0.0 112.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -68.62 -24.44 64.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.403 0.681 . . . . 0.0 112.499 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.65 -23.2 34.35 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.403 -0.811 . . . . 0.0 113.035 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.08 -26.76 64.14 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.08 1.309 . . . . 0.0 111.331 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.55 -19.87 62.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.645 -0.659 . . . . 0.0 112.498 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.71 -1.2 37.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.487 1.115 . . . . 0.0 112.753 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -106.79 -26.16 11.4 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.23 1.412 . . . . 0.0 112.618 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -92.1 81.91 5.06 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.093 1.357 . . . . 0.0 109.469 169.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.4 t -84.26 -5.38 59.25 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.785 1.234 . . . . 0.0 113.796 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.75 -11.89 61.38 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.562 1.553 . . . . 0.0 113.734 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 60.82 26.38 16.22 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.335 1.854 . . . . 0.0 113.12 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -75.88 -31.34 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.687 1.595 . . . . 0.0 112.249 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.77 -17.91 12.43 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.626 1.571 . . . . 0.0 112.347 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -59.74 -22.39 62.0 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -135.06 149.12 69.4 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 125.881 1.673 . . . . 0.0 112.646 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -66.82 150.73 83.23 Favored 'Trans proline' 0 CA--C 1.537 0.65 1 C-N-CA 125.463 4.108 . . . . 0.0 112.817 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.69 128.05 93.52 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.246 1.018 . . . . 0.0 110.446 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.0 115.12 4.19 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.341 2.694 . . . . 0.0 110.63 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.83 -22.91 63.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.27 -18.08 56.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 113.939 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.3 9.0 9.71 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.213 1.405 . . . . 0.0 113.375 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -149.65 77.98 8.5 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.275 1.83 . . . . 0.0 109.16 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.24 -12.08 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.166 2.577 . . . . 0.0 113.13 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -100.55 10.12 41.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.415 1.486 . . . . 0.0 113.288 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.2 -39.44 72.45 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.909 -1.12 . . . . 0.0 112.576 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.5 mt -78.3 -20.55 51.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.092 1.357 . . . . 0.0 113.29 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.23 -27.95 38.65 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -97.84 -24.2 15.53 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -119.34 119.89 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.768 1.227 . . . . 0.0 110.884 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.18 -29.09 42.75 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -130.45 78.27 74.51 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 126.392 1.877 . . . . 0.0 110.668 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.36 131.69 10.79 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.847 2.365 . . . . 0.0 110.325 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.8 ttt -157.45 163.97 37.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.886 0.874 . . . . 0.0 112.78 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -153.41 162.99 40.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.728 1.611 . . . . 0.0 112.339 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -54.89 -32.04 60.53 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.382 1.073 . . . . 0.0 113.228 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -64.9 -38.28 90.44 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.865 0.757 . . . . 0.0 111.776 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 15.5 m -68.04 -38.58 82.66 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.954 0.902 . . . . 0.0 111.094 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.3 mtp -58.53 -52.16 66.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.961 0.504 . . . . 0.0 111.127 170.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -56.67 -47.58 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.78 1.232 . . . . 0.0 112.636 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.16 -46.07 88.91 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.171 0.988 . . . . 0.0 112.011 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.79 -36.05 82.44 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.31 -40.39 70.85 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.144 -0.972 . . . . 0.0 111.592 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.54 -13.57 62.17 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.132 0.973 . . . . 0.0 113.297 171.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.74 4.31 47.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.875 1.67 . . . . 0.0 113.007 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 64.55 27.05 13.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.572 1.949 . . . . 0.0 113.817 175.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -67.9 -18.98 64.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -104.54 103.26 12.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.782 1.233 . . . . 0.0 111.839 -174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.26 -6.09 28.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.417 1.487 . . . . 0.0 112.924 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -142.28 144.46 33.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.157 1.783 . . . . 0.0 109.755 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.04 -26.88 67.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.21 0.604 . . . . 0.0 112.491 -173.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.04 -40.72 90.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.7 1.2 . . . . 0.0 113.184 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.82 -20.84 48.71 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.143 -0.973 . . . . 0.0 112.732 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -83.66 -11.2 57.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.744 1.618 . . . . 0.0 112.664 170.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.85 -42.06 8.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.224 1.41 . . . . 0.0 111.075 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.22 -30.16 71.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.007 1.323 . . . . 0.0 114.49 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -80.46 -28.04 37.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.226 1.01 . . . . 0.0 113.508 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.04 -42.91 84.02 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.463 169.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -56.52 -35.63 68.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.632 0.773 . . . . 0.0 112.152 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -41.97 98.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.055 0.843 . . . . 0.0 112.087 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.42 -40.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.72 1.208 . . . . 0.0 111.415 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.9 -54.12 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.374 0.67 . . . . 0.0 110.075 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -30.82 71.85 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -52.82 -34.04 52.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.652 1.181 . . . . 0.0 112.575 171.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 6.2 t -82.57 -40.42 20.94 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.958 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.78 -20.35 64.34 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.922 0.889 . . . . 0.0 112.19 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -82.9 -29.02 29.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.514 1.525 . . . . 0.0 115.031 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -137.91 16.95 2.85 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.33 135.84 48.49 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.097 -1.627 . . . . 0.0 110.799 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.72 158.04 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.106 0.955 . . . . 0.0 113.05 -170.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -71.5 10.46 0.63 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.32 18.33 1.72 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.667 1.587 . . . . 0.0 113.06 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 45.7 p -109.71 159.75 16.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.9 1.28 . . . . 0.0 111.599 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.22 -43.34 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.339 1.056 . . . . 0.0 112.174 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -66.33 -47.41 73.57 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.167 0.987 . . . . 0.0 111.988 -171.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.59 -43.38 84.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 111.781 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.43 61.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.98 -31.69 72.07 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.692 -1.255 . . . . 0.0 112.888 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.19 -33.69 70.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.215 -0.928 . . . . 0.0 112.697 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.53 -37.98 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.512 0.725 . . . . 0.0 110.452 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.69 -44.32 96.67 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.66 0.664 . . . . 0.0 111.701 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.55 -45.33 94.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.752 0.821 . . . . 0.0 112.508 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.26 -31.74 70.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.236 1.015 . . . . 0.0 113.191 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -87.68 -66.0 0.96 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.003 1.321 . . . . 0.0 111.57 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -71.17 -49.74 40.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.638 0.775 . . . . 0.0 112.255 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.51 -12.37 84.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.692 -0.63 . . . . 0.0 113.283 175.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.04 82.11 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 169.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.45 72.46 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.104 0.952 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.55 -34.96 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.054 0.942 . . . . 0.0 112.164 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 76.7 mt -73.69 -38.78 64.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.534 0.733 . . . . 0.0 111.283 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -68.18 -43.67 77.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.753 1.221 . . . . 0.0 113.422 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -66.71 -34.5 77.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.211 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.11 -25.73 20.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.915 0.886 . . . . 0.0 112.937 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -57.15 -29.19 63.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.891 1.276 . . . . 0.0 111.984 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.22 -29.07 65.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.839 1.256 . . . . 0.0 113.18 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.04 -21.24 59.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.742 1.217 . . . . 0.0 112.812 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.29 -40.62 12.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.741 1.217 . . . . 0.0 111.995 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.03 -33.83 76.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 CA-C-O 119.831 -0.427 . . . . 0.0 113.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.4 -37.99 73.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.612 1.165 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -72.81 -16.73 61.61 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.114 0.966 . . . . 0.0 113.491 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -76.85 -31.55 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.643 1.177 . . . . 0.0 110.76 171.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.92 -48.33 80.9 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.81 -46.53 71.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.103 0.561 . . . . 0.0 111.8 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -63.25 -35.04 79.01 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.58 -38.94 62.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.591 0.757 . . . . 0.0 112.276 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -65.88 -46.93 76.56 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.027 1.331 . . . . 0.0 111.242 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.64 -40.68 79.79 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.702 0.801 . . . . 0.0 112.574 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.68 -25.46 65.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.217 0.607 . . . . 0.0 112.614 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -78.05 -33.06 51.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.387 0.994 . . . . 0.0 111.84 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.08 -33.69 74.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.77 1.168 . . . . 0.0 111.497 169.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.54 -19.66 62.88 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -82.17 -19.28 40.22 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.044 0.838 . . . . 0.0 113.03 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -78.91 -16.18 57.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -97.59 80.45 2.83 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.551 1.14 . . . . 0.0 110.52 172.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 62.7 p -84.38 -5.81 59.32 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.853 1.261 . . . . 0.0 114.23 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.04 -12.55 60.1 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.952 1.739 . . . . 0.0 113.976 170.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 60.99 27.51 17.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.345 1.858 . . . . 0.0 113.108 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -77.24 -29.97 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.755 1.622 . . . . 0.0 112.032 -173.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -117.15 -13.86 10.52 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.049 1.74 . . . . 0.0 112.817 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -58.36 -23.05 55.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.569 1.548 . . . . 0.0 113.929 170.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -132.59 155.81 80.8 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 126.076 1.75 . . . . 0.0 111.608 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.81 151.41 78.59 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.464 3.442 . . . . 0.0 111.551 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.78 126.01 87.66 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.89 0.876 . . . . 0.0 109.866 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 117.2 4.91 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.39 2.727 . . . . 0.0 111.054 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.59 -23.9 63.6 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -61.02 -18.08 55.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.068 1.347 . . . . 0.0 113.954 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.93 8.52 9.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.115 1.366 . . . . 0.0 113.584 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.549 HG11 ' HH ' ' B' ' 122' ' ' TYR . 44.5 t -147.93 81.69 8.2 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.115 1.766 . . . . 0.0 109.25 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.2 -7.26 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.208 2.605 . . . . 0.0 113.079 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -108.75 12.88 25.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.805 1.642 . . . . 0.0 113.126 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -56.11 -45.08 79.62 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.871 -1.143 . . . . 0.0 112.256 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.86 -19.1 41.67 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.733 1.213 . . . . 0.0 113.265 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.43 -23.37 53.94 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.348 1.059 . . . . 0.0 112.344 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -98.57 -40.2 8.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.037 0.935 . . . . 0.0 113.413 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 30.9 mm -105.51 114.78 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.754 1.161 . . . . 0.0 111.071 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -78.79 -27.23 44.45 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -137.92 77.19 38.45 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.436 1.494 . . . . 0.0 110.335 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.56 153.35 30.41 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.152 3.234 . . . . 0.0 112.329 -172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttm -166.0 165.2 18.14 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.005 1.722 . . . . 0.0 112.198 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -164.98 168.03 17.88 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.367 2.667 . . . . 0.0 110.215 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.06 -29.86 70.78 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -72.41 -38.45 68.4 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.251 0.932 . . . . 0.0 111.016 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 41.3 m -59.98 -46.36 89.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 76.6 mtp -58.95 -46.64 87.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.058 0.845 . . . . 0.0 112.013 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.38 -42.29 86.72 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.679 0.792 . . . . 0.0 112.958 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.78 -44.01 94.63 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.76 0.824 . . . . 0.0 111.895 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.43 -35.75 78.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.304 0.642 . . . . 0.0 112.183 172.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.36 -42.95 61.61 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.585 -1.322 . . . . 0.0 112.136 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.33 -10.96 60.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.953 0.901 . . . . 0.0 113.285 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.61 8.51 41.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.092 1.757 . . . . 0.0 112.947 171.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 62.58 24.85 14.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.074 1.749 . . . . 0.0 113.778 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -67.91 -24.66 65.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.303 1.041 . . . . 0.0 112.98 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -90.89 106.94 18.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 111.845 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.38 -8.35 19.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.446 1.499 . . . . 0.0 112.865 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -143.42 141.37 30.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.678 1.991 . . . . 0.0 109.803 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -66.57 -26.36 67.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 122.889 0.476 . . . . 0.0 111.759 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.04 -45.75 79.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.67 -33.22 62.44 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.07 0.948 . . . . 0.0 112.274 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.3 -38.19 81.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.645 1.178 . . . . 0.0 111.927 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.45 -41.77 69.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.755 1.222 . . . . 0.0 111.629 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.954 -1.091 . . . . 0.0 112.94 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.68 -26.6 60.81 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.547 -0.72 . . . . 0.0 112.654 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -70.1 -43.56 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -57.62 -34.62 69.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.182 0.593 . . . . 0.0 111.889 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.16 -45.09 94.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.046 0.839 . . . . 0.0 111.923 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 99.1 mt -59.28 -47.25 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.897 0.879 . . . . 0.0 110.947 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.77 -52.99 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.168 0.987 . . . . 0.0 110.588 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 71.9 m -62.0 -34.79 76.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.87 -19.52 65.75 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.163 -0.96 . . . . 0.0 113.244 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.57 -56.37 4.59 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.61 -26.05 63.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.158 1.783 . . . . 0.0 113.624 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -85.3 -11.79 53.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.549 ' HH ' HG11 ' B' ' 77' ' ' VAL . 48.5 t80 -142.97 60.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.522 1.929 . . . . 0.0 112.491 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -156.19 -173.36 4.47 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.917 1.287 . . . . 0.0 112.632 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.69 152.95 41.5 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.081 1.352 . . . . 0.0 110.376 170.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -74.08 8.98 1.76 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -169.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -120.62 -4.74 9.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.797 1.639 . . . . 0.0 113.677 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 31.1 p -84.9 161.26 19.92 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.089 0.956 . . . . 0.0 112.309 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.6 tt -60.98 -40.95 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.639 0.776 . . . . 0.0 111.551 169.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.68 -35.06 76.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.778 1.231 . . . . 0.0 112.493 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -60.15 -52.95 63.16 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.787 0.835 . . . . 0.0 111.308 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -67.69 -30.45 69.98 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.7 89.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.223 0.92 . . . . 0.0 112.472 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.75 78.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.435 0.694 . . . . 0.0 112.449 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.89 -43.18 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -67.69 -32.01 72.37 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.683 0.793 . . . . 0.0 112.691 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.21 -44.04 80.57 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.738 . . . . 0.0 111.475 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -60.35 -28.27 68.03 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -83.82 -69.36 0.64 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.999 1.319 . . . . 0.0 111.539 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.83 -41.55 71.36 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.79 -18.61 69.84 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-N 118.779 0.718 . . . . 0.0 112.872 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.22 -34.45 89.96 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 117.977 0.889 . . . . 0.0 111.03 170.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.22 95.17 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.783 0.792 . . . . 0.0 112.176 169.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.61 -38.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.78 0.832 . . . . 0.0 111.063 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.09 -35.19 69.14 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.811 -0.556 . . . . 0.0 111.705 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -44.79 73.72 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 112.801 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -67.96 -23.95 65.11 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.46 1.104 . . . . 0.0 113.094 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.86 -30.75 12.96 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.768 0.827 . . . . 0.0 112.634 -173.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.65 -42.91 89.43 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.724 1.21 . . . . 0.0 112.237 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -58.05 -22.03 48.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -75.93 -20.93 57.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.47 1.108 . . . . 0.0 112.441 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.71 -43.07 10.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.226 1.41 . . . . 0.0 111.74 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.42 -28.63 69.39 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.94 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.69 -40.71 92.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.755 1.222 . . . . 0.0 112.498 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.46 -30.97 69.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.194 0.998 . . . . 0.0 111.786 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.3 -32.98 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.02 0.928 . . . . 0.0 111.533 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.05 -39.9 96.12 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.668 1.122 . . . . 0.0 110.888 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.05 -44.35 72.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.917 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.61 -31.28 72.23 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.409 0.549 . . . . 0.0 112.359 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -70.1 -37.49 75.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.517 1.127 . . . . 0.0 112.526 172.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.9 m -79.75 -44.38 20.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.532 1.533 . . . . 0.0 111.677 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.81 -39.43 77.55 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.77 0.828 . . . . 0.0 112.477 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.99 -12.85 60.43 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.89 -27.66 23.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.345 1.058 . . . . 0.0 111.911 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -30.43 69.6 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.886 1.221 . . . . 0.0 111.6 169.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -70.46 -20.37 62.89 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.69 -15.2 61.7 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.921 0.782 . . . . 0.0 112.595 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -90.81 6.75 43.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.494 1.518 . . . . 0.0 113.266 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -133.71 75.27 1.59 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.702 1.601 . . . . 0.0 110.853 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 75.8 p -81.38 -7.82 59.64 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.817 1.647 . . . . 0.0 114.238 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.57 -11.04 62.77 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.981 1.753 . . . . 0.0 114.348 169.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 56.82 33.67 23.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.128 1.771 . . . . 0.0 113.323 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 53.7 mt -77.0 -26.07 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.494 1.518 . . . . 0.0 111.736 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.89 -12.99 9.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.348 1.859 . . . . 0.0 112.877 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.3 m -53.43 -27.97 27.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.78 1.632 . . . . 0.0 113.807 169.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -138.25 158.85 70.12 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.622 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.79 153.7 77.02 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 124.445 3.43 . . . . 0.0 111.951 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -62.24 127.24 89.34 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 123.938 0.895 . . . . 0.0 110.019 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.34 114.4 3.62 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.389 2.726 . . . . 0.0 110.867 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.9 -25.67 64.72 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.146 0.578 . . . . 0.0 112.28 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -61.14 -17.94 55.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.285 1.434 . . . . 0.0 113.933 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -123.61 6.0 8.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.151 1.381 . . . . 0.0 113.679 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 t -148.84 76.24 9.74 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.006 1.722 . . . . 0.0 109.664 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.58 -11.24 20.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.084 2.523 . . . . 0.0 113.445 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -103.5 7.43 37.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.331 1.452 . . . . 0.0 113.072 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -57.49 -49.01 77.68 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.036 -1.04 . . . . 0.0 112.107 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.41 -18.66 60.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.833 1.253 . . . . 0.0 113.231 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.06 -16.1 59.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.309 1.043 . . . . 0.0 112.774 173.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.32 -32.07 6.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.983 1.313 . . . . 0.0 113.572 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 mm -99.74 110.8 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.911 1.284 . . . . 0.0 110.081 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -30.57 48.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 0.0 113.12 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -132.51 70.52 79.54 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.022 1.729 . . . . 0.0 111.939 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.57 144.26 39.75 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.259 2.64 . . . . 0.0 111.609 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 69.9 mmm -152.05 168.16 26.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.76 2.024 . . . . 0.0 111.728 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -166.77 164.74 16.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.269 2.228 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.25 -27.43 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.86 -41.44 82.9 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.059 0.845 . . . . 0.0 111.365 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -64.94 -42.61 94.51 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.237 1.015 . . . . 0.0 110.919 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.5 mmm -57.36 -49.27 76.7 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.129 0.422 . . . . 0.0 110.788 173.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.43 -44.4 89.11 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.522 -0.736 . . . . 0.0 112.81 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.75 -43.03 90.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.102 0.961 . . . . 0.0 112.215 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.85 -35.76 77.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.778 0.831 . . . . 0.0 111.8 172.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.37 -42.01 62.71 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.76 -1.213 . . . . 0.0 111.84 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.53 -19.17 63.37 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.604 1.161 . . . . 0.0 112.815 172.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.33 6.55 40.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.325 1.85 . . . . 0.0 113.25 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 62.78 26.87 15.82 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.938 1.695 . . . . 0.0 113.835 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -66.86 -25.78 66.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.996 0.918 . . . . 0.0 112.853 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -89.88 109.61 20.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.681 1.193 . . . . 0.0 111.411 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.09 -10.62 16.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.147 1.379 . . . . 0.0 113.154 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.53 148.13 32.87 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.402 1.881 . . . . 0.0 109.852 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -66.48 -28.32 68.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.029 0.531 . . . . 0.0 112.087 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.45 -44.06 93.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.924 1.289 . . . . 0.0 112.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -72.2 -35.19 68.87 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.947 0.794 . . . . 0.0 112.241 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -67.12 -37.04 83.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.397 1.079 . . . . 0.0 111.759 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.67 -37.72 65.18 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 111.95 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.2 -34.68 71.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.782 -1.199 . . . . 0.0 113.557 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -69.44 -29.18 66.83 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.543 -0.723 . . . . 0.0 112.14 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -66.34 -44.46 83.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.303 -0.873 . . . . 0.0 111.185 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -59.07 -36.5 75.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.691 -0.631 . . . . 0.0 111.994 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.2 tp -63.58 -44.01 95.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.038 0.935 . . . . 0.0 111.613 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.02 -44.68 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.268 1.027 . . . . 0.0 111.643 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 66.0 t -57.75 -51.98 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.596 0.758 . . . . 0.0 110.651 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 t -59.84 -36.49 76.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.099 0.96 . . . . 0.0 113.365 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.57 -21.59 66.14 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.933 -1.104 . . . . 0.0 113.7 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.33 -52.52 9.04 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.723 0.692 . . . . 0.0 110.278 170.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.97 -24.75 67.2 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.102 1.361 . . . . 0.0 112.895 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -79.64 -18.3 51.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.715 . . . . 0.0 113.887 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -146.11 83.08 1.62 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.671 1.188 . . . . 0.0 112.802 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -169.71 -179.91 3.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.402 2.281 . . . . 0.0 111.092 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.63 154.98 18.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.59 1.156 . . . . 0.0 111.04 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -70.13 2.46 3.64 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 -169.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -138.61 14.0 2.74 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.969 1.308 . . . . 0.0 114.216 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.3 p -87.01 161.38 18.22 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.19 -0.944 . . . . 0.0 113.315 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 13.8 tt -59.52 -35.84 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.168 0.987 . . . . 0.0 111.216 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -72.92 -36.8 67.32 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 125.129 1.372 . . . . 0.0 112.966 -174.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.74 -51.11 71.18 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.236 0.541 . . . . 0.0 109.674 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.03 -31.68 73.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.26 1.024 . . . . 0.0 112.961 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.34 94.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.494 1.043 . . . . 0.0 112.215 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.63 75.04 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.484 0.713 . . . . 0.0 112.079 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.3 -39.61 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.141 0.576 . . . . 0.0 111.018 171.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -65.76 -39.48 91.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.734 0.813 . . . . 0.0 112.109 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.68 -49.22 77.22 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.86 0.754 . . . . 0.0 111.542 170.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.9 -30.32 67.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.082 0.953 . . . . 0.0 113.484 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.07 -66.87 0.88 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.962 1.305 . . . . 0.0 111.826 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -76.29 -28.79 57.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -89.96 -17.36 54.07 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 119.158 0.89 . . . . 0.0 112.581 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.4 -35.93 92.39 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-N 118.349 1.075 . . . . 0.0 110.627 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.0 93.69 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.099 0.96 . . . . 0.0 112.419 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.2 -37.81 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.667 1.187 . . . . 0.0 110.998 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.22 -33.12 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.982 0.913 . . . . 0.0 111.573 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -67.96 -52.88 30.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.401 1.08 . . . . 0.0 112.827 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -60.5 -33.68 72.97 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.11 0.964 . . . . 0.0 112.513 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.46 -25.41 23.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 0.0 113.001 -169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -59.73 -32.53 70.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.503 1.121 . . . . 0.0 111.955 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.34 -30.01 69.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.301 1.04 . . . . 0.0 113.208 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.5 -19.89 60.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.857 1.263 . . . . 0.0 112.614 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.11 -43.6 10.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 111.933 170.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.85 -30.04 71.02 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.853 0.861 . . . . 0.0 113.309 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.0 -38.04 75.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 112.514 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.03 -15.53 61.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.545 1.138 . . . . 0.0 113.531 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 68.6 mt -78.9 -31.22 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.716 1.206 . . . . 0.0 110.696 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.93 -46.69 86.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.406 -0.809 . . . . 0.0 110.42 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.71 -45.8 74.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.723 0.409 . . . . 0.0 111.633 -172.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -64.15 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.394 0.543 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.2 -22.19 42.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.584 1.154 . . . . 0.0 113.091 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.1 m -82.39 -44.84 15.62 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.822 1.249 . . . . 0.0 111.077 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.53 -37.96 68.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 113.42 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.46 -21.22 59.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -80.26 -26.51 38.96 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.311 -0.868 . . . . 0.0 111.94 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -28.22 69.36 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.224 0.92 . . . . 0.0 111.9 170.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.89 -22.5 59.7 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.73 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -8.38 54.83 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.469 0.708 . . . . 0.0 112.446 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -102.18 2.64 37.52 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.132 1.773 . . . . 0.0 112.686 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -118.9 78.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.907 2.083 . . . . 0.0 109.222 170.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.7 p -82.13 -7.57 59.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.138 1.375 . . . . 0.0 114.111 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.26 65.31 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.015 1.769 . . . . 0.0 113.808 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 61.97 25.91 15.6 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.513 1.925 . . . . 0.0 112.995 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.55 -35.84 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.781 1.632 . . . . 0.0 112.262 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -110.38 -19.35 12.99 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.319 1.448 . . . . 0.0 112.275 -175.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -58.98 -19.91 47.82 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.511 1.124 . . . . 0.0 113.784 172.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -127.85 151.54 75.79 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 125.619 1.567 . . . . 0.0 111.954 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.28 148.68 68.71 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.955 3.77 . . . . 0.0 112.53 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.96 124.95 88.08 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.858 0.863 . . . . 0.0 110.15 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.16 119.64 6.13 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.499 2.799 . . . . 0.0 111.16 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.36 -22.03 61.95 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.6 p -62.01 -19.62 63.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.969 1.308 . . . . 0.0 114.046 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -121.22 7.84 10.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.26 1.424 . . . . 0.0 113.383 170.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.579 HG11 ' HH ' ' B' ' 122' ' ' TYR . 32.6 t -146.07 80.29 10.39 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.04 1.736 . . . . 0.0 109.592 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.68 -9.24 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.115 2.544 . . . . 0.0 113.085 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -110.0 11.85 23.86 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.613 1.565 . . . . 0.0 113.227 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.37 -41.47 65.89 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.041 -1.037 . . . . 0.0 111.686 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.55 -18.91 50.74 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.138 1.775 . . . . 0.0 113.091 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.44 -33.98 23.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.57 1.148 . . . . 0.0 112.103 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -87.28 -29.17 21.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -116.94 121.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.159 0.984 . . . . 0.0 110.987 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.63 -31.03 61.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.023 1.329 . . . . 0.0 113.295 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.51 71.4 71.42 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.227 1.811 . . . . 0.0 110.931 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.39 131.34 18.79 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.646 2.898 . . . . 0.0 110.351 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 14.1 ttt -160.28 154.82 23.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.664 1.185 . . . . 0.0 111.877 -170.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.45 172.72 14.0 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.013 2.125 . . . . 0.0 111.012 -174.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -57.02 -30.98 64.66 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -68.75 -38.46 80.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.552 0.615 . . . . 0.0 111.646 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -65.61 -38.66 90.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.088 0.955 . . . . 0.0 111.208 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 25.9 mmm -59.01 -52.19 66.82 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.612 0.642 . . . . 0.0 110.909 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -57.45 -44.61 84.9 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.86 -45.28 94.47 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.073 0.949 . . . . 0.0 111.972 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -62.84 -34.61 77.7 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -72.83 -42.6 63.62 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.528 -0.732 . . . . 0.0 111.807 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.21 -13.14 62.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.806 0.842 . . . . 0.0 113.002 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.5 3.08 48.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.119 1.767 . . . . 0.0 112.961 170.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 63.94 25.21 13.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.845 2.058 . . . . 0.0 113.936 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -74.59 -14.04 60.73 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -90.93 104.33 16.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.83 1.252 . . . . 0.0 111.005 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.17 -10.05 20.77 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.954 1.302 . . . . 0.0 113.005 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -145.04 146.14 31.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.622 1.969 . . . . 0.0 109.46 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.76 -25.74 66.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.522 0.329 . . . . 0.0 111.817 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.45 -48.58 71.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.291 1.436 . . . . 0.0 112.374 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.06 -33.79 65.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.521 0.728 . . . . 0.0 112.505 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.05 -37.64 84.42 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.599 0.759 . . . . 0.0 111.728 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.97 -43.23 62.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.598 1.159 . . . . 0.0 111.479 173.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.07 -35.4 80.43 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.109 -0.994 . . . . 0.0 112.98 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.5 -21.08 61.26 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.575 -0.703 . . . . 0.0 112.63 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -76.34 -42.4 45.0 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.22 -0.925 . . . . 0.0 109.734 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -59.8 -32.29 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.59 -0.693 . . . . 0.0 112.408 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.1 -47.31 85.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.405 1.082 . . . . 0.0 111.125 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.87 -44.45 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.152 0.981 . . . . 0.0 111.204 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.75 -52.96 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.836 0.854 . . . . 0.0 110.606 174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.5 t -60.93 -37.53 82.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.349 1.059 . . . . 0.0 112.804 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.08 -27.52 69.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.9 -49.66 23.8 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.41 -0.806 . . . . 0.0 111.219 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 55.3 mt -64.36 -26.48 68.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.537 1.135 . . . . 0.0 112.519 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.53 -19.27 49.96 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.718 1.607 . . . . 0.0 114.025 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.579 ' HH ' HG11 ' B' ' 77' ' ' VAL . 52.2 t80 -139.25 62.31 1.53 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.858 1.263 . . . . 0.0 112.737 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.16 163.45 20.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.118 1.367 . . . . 0.0 111.898 172.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.3 165.38 24.95 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.958 0.885 . . . . 0.0 112.29 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -73.93 -1.04 18.01 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -150.18 19.12 0.86 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -169.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 35.7 p -89.84 163.2 15.12 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.225 1.41 . . . . 0.0 113.196 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 tt -56.24 -45.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.61 1.164 . . . . 0.0 111.778 170.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -67.19 -45.03 78.14 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.22 1.008 . . . . 0.0 112.024 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -58.27 -47.07 84.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.837 0.855 . . . . 0.0 111.221 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -73.89 -30.51 62.65 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.538 0.735 . . . . 0.0 112.531 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.14 74.17 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.924 -1.11 . . . . 0.0 112.613 171.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.12 -36.22 74.65 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.505 -0.747 . . . . 0.0 112.581 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.59 -40.63 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 170.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -60.16 -42.79 95.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.874 0.87 . . . . 0.0 111.714 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.9 -47.66 84.87 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.083 0.953 . . . . 0.0 112.299 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -59.05 -33.56 70.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.7 0.8 . . . . 0.0 113.125 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.45 -65.94 0.95 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.981 1.312 . . . . 0.0 111.332 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.45 -36.34 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.75 -18.1 57.06 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.236 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.51 89.42 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.387 1.094 . . . . 0.0 110.951 169.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.77 99.36 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.7 0.8 . . . . 0.0 112.054 169.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.87 -39.28 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 111.3 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 65.5 mt -70.72 -37.26 73.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.328 0.651 . . . . 0.0 111.273 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.33 -47.02 68.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.527 1.131 . . . . 0.0 112.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.17 -33.32 75.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.931 0.892 . . . . 0.0 112.536 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.99 -29.73 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.872 1.269 . . . . 0.0 112.87 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.42 -30.95 61.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.415 1.486 . . . . 0.0 112.613 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -59.71 -28.67 67.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -74.77 -17.06 60.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.367 1.067 . . . . 0.0 112.84 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.47 -40.38 10.87 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.733 1.213 . . . . 0.0 112.083 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.33 -26.1 62.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 O-C-N 120.932 -1.105 . . . . 0.0 113.783 174.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.024 0 CA-C-O 119.875 -0.403 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -58.12 -37.48 74.67 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.496 1.119 . . . . 0.0 112.481 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.55 -16.44 61.26 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.43 1.092 . . . . 0.0 113.603 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.69 -31.99 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.526 1.13 . . . . 0.0 110.656 170.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.23 -48.65 79.03 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.839 -0.538 . . . . 0.0 110.013 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.23 -45.89 75.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.865 0.466 . . . . 0.0 111.877 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -63.97 -33.12 75.0 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.57 -33.0 42.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.979 0.912 . . . . 0.0 112.776 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.7 m -72.6 -40.06 66.84 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.682 1.193 . . . . 0.0 111.451 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.34 -42.14 77.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.985 0.914 . . . . 0.0 112.554 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.89 -30.25 71.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.584 0.753 . . . . 0.0 112.497 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.13 -12.53 59.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.771 0.829 . . . . 0.0 112.324 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.51 -37.63 13.75 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.181 0.9 . . . . 0.0 109.119 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.5 -31.43 72.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.825 0.85 . . . . 0.0 112.72 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.7 -16.64 64.37 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -85.1 -20.07 30.9 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.228 1.011 . . . . 0.0 112.633 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -92.34 78.14 5.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.795 1.638 . . . . 0.0 110.298 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.2 t -82.57 -3.24 55.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.061 1.344 . . . . 0.0 113.797 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.71 -11.65 57.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.806 1.67 . . . . 0.0 113.516 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.08 26.09 15.41 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.598 1.959 . . . . 0.0 113.143 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.75 -35.48 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.186 1.394 . . . . 0.0 112.18 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -109.42 -20.5 12.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.33 1.452 . . . . 0.0 111.95 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -57.37 -22.84 45.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.896 1.278 . . . . 0.0 113.907 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -132.95 153.33 80.95 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.874 1.67 . . . . 0.0 111.67 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.94 148.94 77.23 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 124.707 3.605 . . . . 0.0 113.16 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.52 123.94 80.93 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 124.098 0.959 . . . . 0.0 109.631 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.05 123.82 8.64 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.19 2.593 . . . . 0.0 111.671 -172.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.62 -14.53 61.2 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.4 t -69.24 -32.54 71.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.79 0.836 . . . . 0.0 111.756 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -87.84 -32.18 19.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.856 0.862 . . . . 0.0 111.953 172.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.73 82.97 36.96 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.597 1.159 . . . . 0.0 111.289 -174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.17 -10.96 19.46 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.177 2.584 . . . . 0.0 113.178 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -102.1 7.0 41.21 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.667 1.587 . . . . 0.0 113.455 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -55.87 -36.73 67.92 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 112.746 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.56 -20.01 61.39 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.163 1.785 . . . . 0.0 113.419 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -88.41 -17.83 29.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.815 1.246 . . . . 0.0 112.846 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -96.59 -35.18 11.16 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 112.358 170.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.02 114.41 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.434 1.494 . . . . 0.0 109.759 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -86.66 -19.32 29.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -174.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -126.05 67.97 63.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.284 1.434 . . . . 0.0 110.067 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.25 136.0 25.86 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.972 3.114 . . . . 0.0 109.903 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.9 ttt -162.26 149.92 14.2 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -148.07 173.63 12.74 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.823 2.449 . . . . 0.0 110.103 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.99 -32.36 63.87 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.18 -37.59 85.83 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 112.01 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -67.2 -41.16 86.29 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 111.298 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 86.5 mtp -63.11 -46.43 87.36 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.672 0.669 . . . . 0.0 111.338 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.05 -47.32 78.11 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.66 -0.65 . . . . 0.0 112.363 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.38 -45.42 94.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.772 0.829 . . . . 0.0 111.72 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.26 -33.05 74.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.755 0.822 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.75 -43.59 46.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.762 -1.211 . . . . 0.0 111.423 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.43 -12.57 61.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.75 5.03 41.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.314 1.845 . . . . 0.0 113.243 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 63.32 25.88 14.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.007 1.723 . . . . 0.0 113.975 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -69.34 -22.33 63.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.983 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.13 105.17 17.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.862 1.265 . . . . 0.0 111.857 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.64 -4.46 25.13 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.254 1.422 . . . . 0.0 113.087 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -153.81 151.7 29.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.651 1.58 . . . . 0.0 110.265 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -68.98 -21.1 64.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.431 0.692 . . . . 0.0 112.26 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.97 -48.96 78.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.847 0.859 . . . . 0.0 112.117 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.59 -32.95 68.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.756 0.707 . . . . 0.0 112.524 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.6 -37.62 82.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.783 0.833 . . . . 0.0 111.762 175.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.27 -43.45 61.0 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.609 1.163 . . . . 0.0 111.479 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.53 -32.27 73.51 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.25 -0.906 . . . . 0.0 113.192 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.42 -28.87 63.24 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.632 -0.667 . . . . 0.0 112.626 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.3 -43.9 76.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.239 -0.913 . . . . 0.0 110.321 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -58.74 -36.19 73.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.92 0.488 . . . . 0.0 111.89 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.33 -44.89 96.43 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.148 0.885 . . . . 0.0 111.697 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.69 -45.44 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.797 0.839 . . . . 0.0 111.184 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.88 -55.0 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.818 0.847 . . . . 0.0 110.578 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -63.39 -35.84 81.73 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.37 -21.67 66.42 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.542 1.064 . . . . 0.0 113.173 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.0 t -77.51 -54.48 6.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.215 0.606 . . . . 0.0 110.237 169.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.87 -26.91 69.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.147 1.379 . . . . 0.0 113.386 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.97 -23.27 60.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.96 1.704 . . . . 0.0 114.194 173.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -147.13 81.09 1.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.979 1.712 . . . . 0.0 111.738 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -168.92 -179.6 3.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.102 2.161 . . . . 0.0 111.938 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.15 148.34 25.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.164 1.385 . . . . 0.0 110.723 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.46 8.16 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -169.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -144.37 11.25 1.49 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 -169.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.5 p -93.37 164.6 13.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.034 0.934 . . . . 0.0 113.419 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.05 -41.67 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.467 1.107 . . . . 0.0 110.629 169.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.92 -38.48 76.24 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.98 1.312 . . . . 0.0 112.319 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.95 -54.37 45.84 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.839 0.856 . . . . 0.0 110.575 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -60.63 -34.04 73.67 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.48 87.51 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.42 1.009 . . . . 0.0 112.305 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.34 80.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.048 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.44 -44.99 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.216 0.606 . . . . 0.0 110.671 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -69.36 -35.61 76.02 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.73 -44.69 96.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.461 1.028 . . . . 0.0 111.889 170.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.12 0.968 . . . . 0.0 113.18 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.0 -65.71 0.98 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.932 1.293 . . . . 0.0 111.449 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.11 -49.08 73.61 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.678 0.791 . . . . 0.0 112.591 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.48 -10.08 80.38 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-O 119.614 -0.548 . . . . 0.0 113.64 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.5 92.11 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 118.272 1.036 . . . . 0.0 110.894 170.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.29 83.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.603 0.761 . . . . 0.0 112.006 169.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.02 -36.89 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.243 1.017 . . . . 0.0 111.977 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.13 -37.32 66.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.487 0.715 . . . . 0.0 111.571 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.69 -46.05 73.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.715 0.806 . . . . 0.0 112.652 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -66.12 -33.3 75.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.024 0.93 . . . . 0.0 112.281 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.7 -28.45 20.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.038 0.935 . . . . 0.0 112.667 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.32 -28.62 68.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.599 1.16 . . . . 0.0 112.415 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.82 -30.18 68.75 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.443 1.097 . . . . 0.0 113.096 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -72.6 -24.53 61.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.175 0.99 . . . . 0.0 112.501 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.01 -41.88 16.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.256 1.022 . . . . 0.0 112.049 170.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.86 -34.6 78.51 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.123 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.95 -38.04 78.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.377 1.089 . . . . 0.0 113.124 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.35 -17.35 59.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.344 1.058 . . . . 0.0 112.656 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.19 -28.5 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.591 1.156 . . . . 0.0 111.03 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.19 -56.3 17.84 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.41 -0.806 . . . . 0.0 109.762 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.26 -40.41 96.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.011 0.524 . . . . 0.0 112.371 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -64.85 -33.7 76.64 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -76.07 -34.98 59.58 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -64.17 -45.4 88.58 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.458 1.103 . . . . 0.0 111.286 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.65 -34.83 71.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.79 0.836 . . . . 0.0 113.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -71.91 -23.4 61.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.522 0.729 . . . . 0.0 112.557 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -83.24 -25.37 31.74 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.225 -0.922 . . . . 0.0 112.462 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.29 -27.88 68.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.738 1.154 . . . . 0.0 111.383 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.33 -21.92 61.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.588 0.755 . . . . 0.0 112.9 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -66.61 -20.73 66.07 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.798 0.726 . . . . 0.0 111.893 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -97.57 2.45 50.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.47 1.508 . . . . 0.0 114.035 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.91 85.15 2.22 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.09 1.756 . . . . 0.0 110.332 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.0 t -88.65 -3.84 58.69 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.986 1.314 . . . . 0.0 114.102 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.51 -12.91 66.28 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.147 1.356 . . . . 0.0 113.155 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 62.95 20.76 12.47 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.902 2.081 . . . . 0.0 113.779 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.87 -35.12 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.869 1.268 . . . . 0.0 111.893 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -108.41 -19.55 13.42 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.718 1.207 . . . . 0.0 112.005 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 38.4 m -54.57 -27.52 39.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.587 1.555 . . . . 0.0 114.282 172.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.78 153.64 81.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 125.86 1.664 . . . . 0.0 112.376 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.46 149.34 68.66 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 124.851 3.701 . . . . 0.0 113.164 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.93 126.16 91.3 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.132 0.973 . . . . 0.0 109.704 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.11 114.94 4.13 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.209 2.606 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.96 -23.23 64.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.008 0.523 . . . . 0.0 112.397 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.0 m -60.74 -18.31 53.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.127 1.371 . . . . 0.0 113.954 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.82 7.04 9.88 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.09 1.356 . . . . 0.0 113.742 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.7 t -148.65 80.61 8.18 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.75 -9.75 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.211 2.608 . . . . 0.0 113.28 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -104.44 6.2 34.75 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.323 1.449 . . . . 0.0 113.601 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -56.14 -40.89 74.51 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.4 mt -75.79 -19.82 58.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.156 1.383 . . . . 0.0 113.219 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.23 -22.13 36.03 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.561 1.144 . . . . 0.0 112.702 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -103.83 -24.14 13.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.2 122.48 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.707 1.203 . . . . 0.0 111.035 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.8 -33.55 58.0 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -138.63 72.87 42.28 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.98 1.312 . . . . 0.0 111.894 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.56 125.03 9.76 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 -172.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 49.8 mmm -135.69 170.57 15.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.337 1.855 . . . . 0.0 111.706 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.35 169.37 22.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.218 2.207 . . . . 0.0 110.521 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -54.8 -38.51 67.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.434 0.693 . . . . 0.0 112.838 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -71.17 -30.59 66.61 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 45.1 m -67.08 -45.49 77.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.441 0.696 . . . . 0.0 110.706 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 18.2 ptm -69.77 -29.97 67.43 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -61.61 -47.91 83.3 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.199 -0.938 . . . . 0.0 111.926 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -62.24 -45.95 91.04 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.124 0.969 . . . . 0.0 111.547 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.58 -28.79 68.79 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.1 -40.97 26.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.942 0.897 . . . . 0.0 111.755 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.63 -16.45 62.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.108 0.963 . . . . 0.0 113.053 172.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.13 -3.28 21.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.009 1.724 . . . . 0.0 113.931 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 69.15 50.9 0.54 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.265 2.226 . . . . 0.0 113.205 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -16.37 28.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -82.86 -71.38 0.5 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.89 1.223 . . . . 0.0 113.417 -172.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 66.26 -2.05 1.07 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.165 2.586 . . . . 0.0 115.235 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -147.07 138.45 24.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.135 2.174 . . . . 0.0 108.655 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.6 -28.0 67.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.42 -44.83 89.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.635 1.174 . . . . 0.0 112.379 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.16 -37.24 75.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.589 0.756 . . . . 0.0 112.051 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.15 -37.99 84.74 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.214 1.005 . . . . 0.0 112.11 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -77.03 -33.6 57.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.311 1.444 . . . . 0.0 112.209 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -68.32 -35.32 77.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 113.231 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.44 -40.42 93.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.408 0.683 . . . . 0.0 111.55 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.58 -44.27 94.53 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.472 -0.767 . . . . 0.0 111.64 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -57.49 -37.04 72.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.033 0.533 . . . . 0.0 112.115 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.269 1.428 . . . . 0.0 111.573 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.33 -40.42 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.217 1.007 . . . . 0.0 111.215 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.2 -58.81 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.588 0.755 . . . . 0.0 111.039 170.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 83.9 p -66.67 -32.05 73.12 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.67 -27.52 68.98 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.088 -1.008 . . . . 0.0 113.071 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -72.23 -53.14 13.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.658 0.663 . . . . 0.0 110.106 171.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.28 -21.82 62.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.774 1.63 . . . . 0.0 113.503 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -78.59 -50.12 12.07 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.223 1.409 . . . . 0.0 113.806 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -110.88 81.06 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.473 1.109 . . . . 0.0 111.587 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.75 -166.27 0.3 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.625 2.37 . . . . 0.0 110.701 -174.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.09 33.7 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.049 0.928 . . . . 0.0 111.393 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -76.76 12.98 1.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.192 2.197 . . . . 0.0 114.263 -169.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -138.11 16.64 2.81 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.241 1.816 . . . . 0.0 113.334 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.0 p -110.66 162.04 15.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.454 1.102 . . . . 0.0 112.996 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.2 tt -61.79 -42.42 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.426 1.091 . . . . 0.0 111.106 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -69.32 -37.33 77.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.621 1.169 . . . . 0.0 112.33 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.03 -54.75 43.21 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.566 1.147 . . . . 0.0 110.794 172.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.54 -31.65 72.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.759 0.824 . . . . 0.0 112.955 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.14 79.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.28 0.945 . . . . 0.0 112.765 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.79 71.32 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 112.306 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.45 -41.79 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.346 0.658 . . . . 0.0 110.571 170.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -64.23 -41.85 96.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.833 0.853 . . . . 0.0 112.215 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.19 -42.72 99.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.953 0.901 . . . . 0.0 112.63 173.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -57.59 -30.77 65.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.09 0.956 . . . . 0.0 113.021 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -86.81 -63.69 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.957 1.303 . . . . 0.0 111.429 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.66 -48.53 63.73 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -170.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.94 -12.25 84.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 121.732 -0.605 . . . . 0.0 112.665 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.25 -37.03 93.53 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 117.984 0.892 . . . . 0.0 112.035 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.12 -38.23 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.761 0.824 . . . . 0.0 111.468 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.07 -33.56 65.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.708 0.803 . . . . 0.0 111.653 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -69.0 -50.76 46.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.275 1.03 . . . . 0.0 113.249 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -63.04 -24.74 68.05 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.355 1.062 . . . . 0.0 112.869 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.02 -28.44 13.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.776 0.83 . . . . 0.0 112.764 -173.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -62.31 -35.94 80.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.506 1.122 . . . . 0.0 112.551 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -20.85 63.97 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.53 -21.78 57.66 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.701 1.2 . . . . 0.0 112.499 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -91.03 -41.58 11.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.918 1.287 . . . . 0.0 112.266 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -31.13 72.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.159 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -61.48 -42.88 99.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.582 1.153 . . . . 0.0 112.47 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.95 -31.56 72.22 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.146 0.978 . . . . 0.0 111.32 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.32 -32.58 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.962 0.905 . . . . 0.0 112.194 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.6 mt -54.94 -43.9 73.81 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.369 0.986 . . . . 0.0 110.213 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.24 -36.22 79.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.5 0.72 . . . . 0.0 111.478 -173.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -58.69 -51.24 70.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.466 0.706 . . . . 0.0 110.977 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.63 -30.77 69.56 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.498 0.719 . . . . 0.0 112.936 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -74.46 -48.05 29.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.719 1.208 . . . . 0.0 111.222 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.4 -39.69 84.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.943 0.792 . . . . 0.0 112.418 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.59 -25.77 65.05 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.24 -32.29 49.63 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 111.808 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.88 -31.73 72.04 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.679 1.127 . . . . 0.0 112.237 170.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.23 -23.23 61.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.49 -15.53 59.87 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.92 0.782 . . . . 0.0 112.63 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -87.54 -1.23 57.8 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.693 1.197 . . . . 0.0 113.805 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -119.14 80.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 109.894 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -83.38 -6.1 59.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.786 1.234 . . . . 0.0 113.93 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.95 -11.2 61.88 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.559 1.552 . . . . 0.0 113.807 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.09 31.36 19.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.201 1.8 . . . . 0.0 113.214 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.23 -29.96 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 111.597 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -115.42 -14.84 11.57 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.772 . . . . 0.0 112.373 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.9 m -57.74 -25.77 60.89 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.206 1.402 . . . . 0.0 113.589 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -131.91 152.58 80.53 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.85 1.66 . . . . 0.0 112.24 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.32 153.67 61.45 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 124.857 3.705 . . . . 0.0 112.799 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.38 125.12 89.82 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.025 0.93 . . . . 0.0 109.926 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.5 116.48 4.73 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.364 2.71 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.26 -21.0 61.44 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -61.0 -23.73 65.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.365 1.066 . . . . 0.0 113.205 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -115.98 6.06 14.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.201 1.401 . . . . 0.0 114.038 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.9 t -147.6 82.03 8.26 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.82 1.648 . . . . 0.0 108.947 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.98 -7.03 15.32 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.187 2.592 . . . . 0.0 113.049 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -108.08 12.39 26.87 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.87 1.668 . . . . 0.0 113.059 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -55.41 -41.67 73.06 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.704 -1.247 . . . . 0.0 112.468 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.7 mt -78.43 -19.15 53.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.219 1.408 . . . . 0.0 113.468 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.96 -24.26 58.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.039 0.935 . . . . 0.0 112.351 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -99.59 -30.97 11.83 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.255 1.022 . . . . 0.0 113.417 173.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.2 mm -118.55 111.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 110.892 -174.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -76.11 -29.51 57.9 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.544 1.138 . . . . 0.0 113.598 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -136.14 86.45 25.49 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 126.011 1.725 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.31 145.14 16.76 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.371 2.714 . . . . 0.0 112.11 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 44.9 ttm -158.12 153.17 25.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -147.87 169.77 19.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 109.722 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -58.51 -29.7 66.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.85 -39.59 93.8 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.492 0.717 . . . . 0.0 112.326 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.2 m -63.76 -43.51 96.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.867 . . . . 0.0 110.885 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.9 mtp -62.89 -45.05 94.37 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.796 0.271 . . . . 0.0 111.564 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -58.16 -42.2 85.47 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -64.6 -46.24 83.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.825 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -62.74 -33.73 75.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -75.23 -42.92 54.29 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.264 1.026 . . . . 0.0 111.582 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.87 -15.99 62.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.089 0.955 . . . . 0.0 113.22 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.25 6.76 43.05 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.379 1.872 . . . . 0.0 113.363 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 63.08 30.05 16.21 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 113.954 172.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -79.06 -14.57 59.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.942 1.297 . . . . 0.0 113.935 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -97.07 106.91 19.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.926 1.29 . . . . 0.0 111.245 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -7.66 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.853 1.261 . . . . 0.0 113.128 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -145.17 146.2 31.67 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.556 1.942 . . . . 0.0 109.779 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.96 -27.16 67.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.908 0.483 . . . . 0.0 112.161 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -57.3 -44.66 84.31 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.097 1.359 . . . . 0.0 112.832 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.5 -34.59 65.36 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.617 0.767 . . . . 0.0 112.336 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -67.97 -37.34 81.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.299 1.04 . . . . 0.0 111.65 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.44 -40.11 67.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.997 1.319 . . . . 0.0 111.924 173.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.18 -31.68 71.39 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.027 -1.046 . . . . 0.0 113.108 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.44 -29.86 65.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.558 -0.714 . . . . 0.0 112.399 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.09 -43.52 78.33 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.917 -1.114 . . . . 0.0 111.013 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -57.84 -31.33 66.54 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.942 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.9 -42.68 85.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.211 0.914 . . . . 0.0 112.155 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.7 -44.91 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.222 1.009 . . . . 0.0 111.093 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.94 -54.02 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.236 0.614 . . . . 0.0 110.483 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -61.5 -36.83 81.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 113.05 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -40.13 52.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.965 1.306 . . . . 0.0 112.904 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.2 t -78.32 -34.4 48.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.892 -0.505 . . . . 0.0 111.908 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.39 -21.88 52.51 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.087 0.955 . . . . 0.0 112.187 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -80.5 -24.58 39.3 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.632 1.573 . . . . 0.0 114.333 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -144.27 94.86 2.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.52 172.0 1.19 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.609 2.764 . . . . 0.0 110.323 172.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.51 165.68 17.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.047 0.939 . . . . 0.0 111.4 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -80.74 6.24 13.46 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.05 17.03 1.22 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.777 1.231 . . . . 0.0 113.973 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.3 p -95.21 156.95 16.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.083 1.353 . . . . 0.0 112.941 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.86 -41.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.746 1.218 . . . . 0.0 112.567 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.85 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.816 0.847 . . . . 0.0 112.517 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.33 -43.56 92.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.52 0.728 . . . . 0.0 111.053 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.21 -30.1 60.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.299 1.039 . . . . 0.0 113.063 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.32 74.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.346 0.975 . . . . 0.0 112.389 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.6 81.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.621 0.768 . . . . 0.0 112.584 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.07 -39.97 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.579 0.752 . . . . 0.0 110.492 172.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.56 -33.02 74.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.386 0.674 . . . . 0.0 112.497 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.66 -43.58 84.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.861 0.864 . . . . 0.0 111.568 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -57.71 -32.6 67.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.997 0.919 . . . . 0.0 112.742 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.52 -67.49 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.656 1.183 . . . . 0.0 111.567 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.88 -45.81 73.45 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.45 -13.88 82.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 121.79 -0.569 . . . . 0.0 113.421 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.79 87.79 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.088 0.944 . . . . 0.0 111.329 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.793 0.797 . . . . 0.0 111.765 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.07 -39.87 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.853 0.861 . . . . 0.0 110.914 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.03 -36.81 78.15 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.909 -0.494 . . . . 0.0 111.465 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -72.9 -41.28 64.76 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -65.99 -25.46 67.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.078 0.951 . . . . 0.0 112.506 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.28 13.69 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.612 0.765 . . . . 0.0 112.499 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.49 -41.94 95.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.766 1.627 . . . . 0.0 112.516 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -65.59 -17.83 64.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.05 -17.1 61.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.249 1.02 . . . . 0.0 112.825 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.54 -39.41 12.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.754 1.222 . . . . 0.0 112.578 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.59 -31.72 71.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.294 0 CA-C-O 119.298 -0.724 . . . . 0.0 114.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.82 1.31 . . . . 0.0 113.106 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.65 -16.03 60.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.195 0.998 . . . . 0.0 112.861 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.2 mt -76.24 -29.86 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.68 1.192 . . . . 0.0 110.841 170.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.17 -44.54 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.472 -0.767 . . . . 0.0 110.473 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.54 -44.75 77.54 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.141 -0.457 . . . . 0.0 111.471 -173.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -64.34 -34.64 78.61 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.443 0.565 . . . . 0.0 112.306 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -77.44 -20.25 54.81 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.8 m -87.62 -44.17 11.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.461 1.104 . . . . 0.0 111.546 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.07 -39.85 75.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.378 1.071 . . . . 0.0 112.716 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.44 -28.0 69.37 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -79.51 -21.77 44.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.842 0.857 . . . . 0.0 112.707 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.38 -27.48 60.67 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.881 1.219 . . . . 0.0 111.615 169.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.8 -21.03 63.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.563 0.619 . . . . 0.0 112.412 175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.49 -7.36 53.93 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.371 1.068 . . . . 0.0 113.014 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -102.34 -2.57 28.68 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.449 1.5 . . . . 0.0 113.095 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.23 85.26 2.15 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.45 1.9 . . . . 0.0 109.392 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.9 t -85.67 -4.81 59.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.819 1.248 . . . . 0.0 113.922 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.69 -11.73 57.67 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.413 1.482 . . . . 0.0 113.672 170.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 60.79 26.42 16.24 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.365 1.866 . . . . 0.0 113.151 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.44 -32.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.685 1.594 . . . . 0.0 112.054 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -111.05 -15.65 13.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.714 1.605 . . . . 0.0 112.612 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -56.72 -22.38 34.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.359 1.464 . . . . 0.0 113.843 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.95 156.82 79.63 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.387 1.875 . . . . 0.0 111.736 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.65 150.93 79.73 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.583 3.522 . . . . 0.0 111.859 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.96 126.72 90.64 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.698 0.799 . . . . 0.0 109.933 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.67 117.29 5.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.442 2.761 . . . . 0.0 110.851 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.72 -23.72 62.51 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.06 -18.02 59.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.944 1.298 . . . . 0.0 113.923 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.37 6.32 10.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.214 1.406 . . . . 0.0 113.815 170.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.488 HG11 ' HH ' ' B' ' 122' ' ' TYR . 38.5 t -150.72 78.24 7.58 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.245 1.818 . . . . 0.0 109.073 176.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.02 -11.37 16.46 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.049 2.5 . . . . 0.0 113.012 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.63 12.55 36.21 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.784 1.633 . . . . 0.0 113.012 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -55.83 -41.22 73.94 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.802 -1.187 . . . . 0.0 112.39 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.47 -19.85 55.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.026 1.331 . . . . 0.0 113.403 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.67 -27.35 50.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.106 0.963 . . . . 0.0 112.304 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -96.27 -28.89 14.3 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -118.8 112.06 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.116 1.367 . . . . 0.0 110.527 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -80.37 -26.97 38.32 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -130.41 68.39 81.26 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.81 1.644 . . . . 0.0 111.186 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.88 138.85 32.22 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.685 2.924 . . . . 0.0 111.597 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpt -153.9 162.41 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.016 1.326 . . . . 0.0 113.075 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.89 168.22 17.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 111.76 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.32 -29.8 71.05 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -66.96 -41.82 86.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.877 0.762 . . . . 0.0 110.894 173.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -68.98 -36.81 78.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.878 0.871 . . . . 0.0 111.263 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.8 mtp -56.27 -52.3 65.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.925 0.784 . . . . 0.0 110.859 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.68 -41.39 86.08 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -61.14 -46.31 91.08 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.218 1.007 . . . . 0.0 111.904 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.95 -32.74 74.41 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.833 0.853 . . . . 0.0 112.062 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -73.31 -41.74 63.18 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.461 -1.399 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.08 -12.65 60.52 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.108 0.963 . . . . 0.0 113.504 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.22 8.24 33.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.86 1.664 . . . . 0.0 112.944 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 63.88 23.54 13.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.286 1.834 . . . . 0.0 114.079 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.18 -27.77 69.29 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.49 1.116 . . . . 0.0 112.71 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -85.99 101.72 13.15 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.971 1.308 . . . . 0.0 111.525 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 61.6 mt -96.4 -20.45 18.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.768 1.227 . . . . 0.0 113.633 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -141.22 149.92 42.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.337 1.855 . . . . 0.0 110.452 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -66.64 -26.69 67.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.315 0.646 . . . . 0.0 112.715 -172.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.79 -40.83 85.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.741 1.216 . . . . 0.0 112.722 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -77.34 -33.64 55.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.609 0.763 . . . . 0.0 112.308 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.11 -38.69 88.81 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.03 0.932 . . . . 0.0 111.652 172.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.56 -43.5 69.36 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.909 1.284 . . . . 0.0 111.586 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.09 -34.88 78.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.234 -0.916 . . . . 0.0 113.054 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.17 -27.15 62.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -70.03 -43.29 71.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.588 -0.695 . . . . 0.0 110.405 169.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -59.49 -31.29 69.22 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.126 0.57 . . . . 0.0 112.144 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.7 -42.46 99.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.864 0.866 . . . . 0.0 111.934 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.14 -47.83 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.002 0.921 . . . . 0.0 110.854 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 81.2 t -60.97 -50.45 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.058 . . . . 0.0 110.413 177.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -58.75 -41.44 86.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.382 1.073 . . . . 0.0 112.42 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.06 -21.69 64.98 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.089 -1.007 . . . . 0.0 113.583 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.5 t -74.17 -55.42 6.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.935 0.789 . . . . 0.0 109.72 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.79 -23.08 67.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -81.25 -14.33 57.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.737 2.015 . . . . 0.0 113.933 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.488 ' HH ' HG11 ' B' ' 77' ' ' VAL . 62.8 t80 -150.7 81.09 1.34 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 112.495 177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -170.83 178.63 3.43 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.342 2.257 . . . . 0.0 111.408 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.73 157.22 16.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.787 1.235 . . . . 0.0 110.779 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -66.68 -4.71 9.48 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 -169.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -143.59 16.94 1.83 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -169.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 75.3 p -83.5 163.25 20.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 112.46 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 tt -55.3 -40.84 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.743 0.817 . . . . 0.0 110.995 169.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -68.46 -41.34 80.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.834 1.254 . . . . 0.0 112.168 -175.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -58.68 -52.29 66.32 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.99 0.516 . . . . 0.0 110.422 171.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -67.66 -29.68 69.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.612 0.765 . . . . 0.0 112.733 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.8 78.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.412 1.085 . . . . 0.0 112.788 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.31 75.64 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.409 -0.807 . . . . 0.0 112.062 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.37 -39.17 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.883 -0.511 . . . . 0.0 111.089 170.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -58.54 -47.51 83.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.733 0.813 . . . . 0.0 111.596 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.02 -45.26 95.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.012 0.925 . . . . 0.0 112.367 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -57.36 -32.72 67.05 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.409 1.084 . . . . 0.0 113.22 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -91.4 -64.19 1.16 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.956 1.303 . . . . 0.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -70.27 -42.79 71.64 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -169.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.33 -11.59 81.92 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 118.756 0.707 . . . . 0.0 113.232 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.89 88.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.216 1.008 . . . . 0.0 110.973 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.92 87.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.645 0.778 . . . . 0.0 112.081 169.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.7 -35.34 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.144 0.978 . . . . 0.0 111.761 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.65 -35.94 60.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.269 0.627 . . . . 0.0 111.301 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -67.39 -46.17 74.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.847 0.859 . . . . 0.0 112.758 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.02 -34.49 78.56 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.01 0.924 . . . . 0.0 112.022 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.01 -26.89 21.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.644 0.777 . . . . 0.0 112.489 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -56.61 -33.82 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.791 1.236 . . . . 0.0 111.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.17 -24.89 68.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.77 -23.8 60.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.087 0.858 . . . . 0.0 112.444 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.36 13.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.472 1.109 . . . . 0.0 111.984 171.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.46 -34.01 77.22 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.456 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.8 -44.11 90.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.952 1.301 . . . . 0.0 112.514 -174.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.17 -23.03 65.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.223 1.009 . . . . 0.0 112.822 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.22 -31.54 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.445 1.098 . . . . 0.0 110.746 174.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.02 -48.18 77.36 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.653 -0.654 . . . . 0.0 110.166 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.59 -43.68 84.24 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.509 -171.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -61.89 -36.38 81.12 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.482 0.583 . . . . 0.0 112.033 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.47 -40.29 67.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.795 0.838 . . . . 0.0 112.854 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -69.39 -43.44 73.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.645 1.578 . . . . 0.0 111.523 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -57.97 -37.84 74.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.42 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.36 -22.44 62.77 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -81.77 -27.58 33.68 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.343 0.974 . . . . 0.0 111.896 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.59 -30.53 70.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.703 1.138 . . . . 0.0 111.285 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.7 -22.1 61.69 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.26 -13.69 61.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.081 0.855 . . . . 0.0 112.623 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -94.0 0.19 55.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.123 1.369 . . . . 0.0 113.13 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.09 78.05 1.68 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.909 2.083 . . . . 0.0 109.811 173.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 79.5 p -82.21 -7.96 59.63 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.187 1.395 . . . . 0.0 114.28 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.45 -10.55 67.8 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.944 1.735 . . . . 0.0 113.746 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 59.64 27.52 16.76 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.494 1.917 . . . . 0.0 113.191 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.63 -35.02 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.512 1.525 . . . . 0.0 111.725 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -112.19 -16.82 12.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.625 1.57 . . . . 0.0 112.231 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -59.02 -20.73 55.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.093 1.357 . . . . 0.0 114.104 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -129.72 154.49 80.98 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 125.906 1.682 . . . . 0.0 111.456 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -65.91 143.58 73.51 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 124.384 3.389 . . . . 0.0 112.018 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.88 124.5 64.91 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.485 0.714 . . . . 0.0 110.54 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.84 113.22 3.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.354 2.703 . . . . 0.0 110.911 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.77 -23.31 63.35 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.063 0.545 . . . . 0.0 112.386 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -61.58 -18.49 59.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.916 1.287 . . . . 0.0 113.97 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -121.37 5.56 10.19 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.271 1.428 . . . . 0.0 113.695 170.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.96 78.7 11.4 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.493 1.517 . . . . 0.0 109.712 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.9 -12.16 17.94 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.118 2.546 . . . . 0.0 113.494 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -104.16 6.2 35.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.478 1.511 . . . . 0.0 113.314 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -55.84 -44.33 77.89 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.964 -1.085 . . . . 0.0 112.147 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.72 -18.07 59.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.337 1.455 . . . . 0.0 113.19 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.31 -20.46 25.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.893 1.277 . . . . 0.0 113.069 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -105.22 -25.56 12.4 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.369 1.068 . . . . 0.0 113.333 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.59 124.05 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.007 1.323 . . . . 0.0 110.365 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.17 -30.12 48.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.477 1.111 . . . . 0.0 113.387 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -137.21 69.52 55.71 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.929 1.692 . . . . 0.0 111.4 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.0 130.64 16.94 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.635 2.89 . . . . 0.0 111.415 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 16.7 ttt -162.6 150.93 14.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.997 1.319 . . . . 0.0 112.618 -170.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -147.3 174.96 11.15 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.748 2.419 . . . . 0.0 110.859 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -59.96 -23.64 63.74 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.99 -38.93 89.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.18 0.9 . . . . 0.0 111.378 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 42.0 m -67.76 -35.98 79.68 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.979 1.312 . . . . 0.0 111.666 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 55.5 mmm -56.95 -53.83 53.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.397 0.679 . . . . 0.0 110.628 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.29 -42.18 86.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -65.51 -45.18 84.51 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.762 0.825 . . . . 0.0 112.286 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -58.45 -40.63 83.16 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.56 0.744 . . . . 0.0 111.824 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.06 -41.74 70.34 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.26 -0.9 . . . . 0.0 112.314 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.4 -12.15 59.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 0.0 113.349 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.7 7.69 32.68 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.095 1.758 . . . . 0.0 113.021 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 65.08 22.83 12.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.756 2.022 . . . . 0.0 114.2 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -68.83 -20.86 64.31 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.223 1.009 . . . . 0.0 113.279 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -87.01 104.02 15.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.877 1.271 . . . . 0.0 111.47 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 59.8 mt -99.24 -19.52 17.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.223 1.409 . . . . 0.0 113.352 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -140.48 150.04 43.28 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.592 1.957 . . . . 0.0 110.313 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -66.25 -27.7 68.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.109 0.564 . . . . 0.0 112.452 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -44.35 76.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.993 1.317 . . . . 0.0 112.508 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -73.18 -33.66 65.55 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 0.0 112.615 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -67.18 -37.33 83.53 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.708 0.803 . . . . 0.0 111.513 174.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.65 -44.17 64.8 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.511 1.124 . . . . 0.0 111.443 173.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.89 -1.131 . . . . 0.0 113.146 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -74.47 -23.64 58.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.479 -0.763 . . . . 0.0 112.391 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -69.62 -44.01 71.53 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.974 . . . . 0.0 109.421 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -58.57 -32.83 69.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.549 0.74 . . . . 0.0 112.401 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.91 -43.67 98.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.999 0.92 . . . . 0.0 111.982 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.727 0.811 . . . . 0.0 110.841 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.68 -55.55 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.823 0.849 . . . . 0.0 110.696 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.8 p -67.33 -27.04 66.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.39 -23.17 66.28 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.103 -0.998 . . . . 0.0 113.193 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.75 -53.21 8.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.774 0.715 . . . . 0.0 110.282 169.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 76.9 mt -56.46 -26.66 54.67 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.762 1.625 . . . . 0.0 113.302 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -87.24 -13.34 44.07 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.87 1.668 . . . . 0.0 114.301 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -138.29 70.03 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.685 1.594 . . . . 0.0 112.273 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.76 176.24 9.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.779 1.631 . . . . 0.0 112.247 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -114.62 162.69 16.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.095 1.358 . . . . 0.0 111.277 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.93 -0.19 2.17 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -137.13 6.42 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 51.9 p -84.36 158.63 21.08 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.085 0.857 . . . . 0.0 112.252 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.7 tt -58.41 -41.93 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 111.419 170.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.27 -38.26 81.54 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.704 1.202 . . . . 0.0 112.335 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.85 -51.8 68.1 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.176 0.99 . . . . 0.0 111.262 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -71.55 -28.7 64.03 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.588 0.755 . . . . 0.0 112.804 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.56 91.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.411 1.005 . . . . 0.0 112.344 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.75 80.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.4 0.68 . . . . 0.0 112.363 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.9 -42.27 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.192 0.597 . . . . 0.0 110.741 171.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.34 -33.31 74.97 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.558 -0.714 . . . . 0.0 112.833 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.54 -46.88 83.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.614 0.766 . . . . 0.0 111.282 169.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -59.28 -31.28 68.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.139 0.975 . . . . 0.0 113.129 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -81.13 -67.7 0.75 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.788 1.235 . . . . 0.0 111.757 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.32 -42.65 71.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.75 -10.29 86.32 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.607 0.64 . . . . 0.0 113.239 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.8 -36.39 92.16 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 118.139 0.97 . . . . 0.0 111.234 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.19 87.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.703 0.752 . . . . 0.0 111.695 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.75 -36.55 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.684 0.793 . . . . 0.0 111.632 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.38 -40.26 70.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.937 0.895 . . . . 0.0 111.551 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -67.61 -47.42 69.71 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.85 -35.33 80.28 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.015 0.926 . . . . 0.0 111.795 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.31 -25.84 23.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.867 0.867 . . . . 0.0 112.271 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -62.56 -32.3 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.92 1.288 . . . . 0.0 112.519 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -28.72 69.51 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.246 -0.909 . . . . 0.0 113.167 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -72.07 -21.1 61.56 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.54 1.136 . . . . 0.0 112.726 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.99 -43.22 11.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.21 1.004 . . . . 0.0 111.993 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.03 -34.08 75.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.857 0.863 . . . . 0.0 113.316 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -66.69 -35.51 80.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.374 1.47 . . . . 0.0 112.22 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.91 -31.37 67.97 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.869 0.759 . . . . 0.0 111.3 -177.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.43 -35.82 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.601 1.161 . . . . 0.0 111.541 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.06 -39.33 74.69 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.931 0.892 . . . . 0.0 111.355 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.14 -35.18 71.61 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.963 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -60.0 -51.84 67.94 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.56 0.695 . . . . 0.0 110.258 170.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -62.41 -31.26 71.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.057 1.343 . . . . 0.0 112.749 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -78.06 -51.44 10.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.987 1.315 . . . . 0.0 110.985 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.39 -38.26 76.97 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.061 0.944 . . . . 0.0 112.855 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.24 -24.01 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.431 0.692 . . . . 0.0 112.776 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -83.14 -24.89 32.36 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.118 -0.989 . . . . 0.0 113.33 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.63 -24.15 65.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.481 1.491 . . . . 0.0 112.209 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -70.0 -20.98 63.26 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.375 -0.828 . . . . 0.0 112.514 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.16 2.34 18.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.516 1.126 . . . . 0.0 112.472 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -115.97 -1.52 12.51 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.06 1.744 . . . . 0.0 113.376 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -122.45 88.6 2.96 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.841 1.657 . . . . 0.0 109.946 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.5 t -89.42 -3.24 58.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.942 1.297 . . . . 0.0 114.122 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.98 -12.43 55.34 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.36 1.457 . . . . 0.0 114.102 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 60.48 22.85 12.5 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.792 2.037 . . . . 0.0 113.698 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.87 -28.71 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.094 1.358 . . . . 0.0 111.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -116.7 -16.66 10.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.893 1.677 . . . . 0.0 111.946 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.6 m -57.07 -26.05 59.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.329 1.052 . . . . 0.0 113.833 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.75 149.01 70.76 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 125.828 1.651 . . . . 0.0 112.599 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.79 148.81 86.94 Favored 'Trans proline' 0 C--N 1.351 0.675 1 C-N-CA 125.481 4.121 . . . . 0.0 112.826 -172.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.91 127.55 91.84 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.389 1.076 . . . . 0.0 109.908 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.56 107.25 2.41 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.018 2.479 . . . . 0.0 110.427 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.8 -23.19 63.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -61.72 -18.81 61.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.11 1.364 . . . . 0.0 113.917 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.98 6.01 7.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.171 1.388 . . . . 0.0 113.587 171.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.614 HG11 ' HH ' ' B' ' 122' ' ' TYR . 21.9 t -145.5 68.15 13.21 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 126.591 1.957 . . . . 0.0 108.861 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.66 -17.31 18.25 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.971 2.447 . . . . 0.0 112.558 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -92.18 6.48 46.47 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.603 1.561 . . . . 0.0 113.429 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -54.41 -47.42 72.79 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.371 -0.831 . . . . 0.0 111.747 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.28 -19.67 59.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.785 1.234 . . . . 0.0 113.487 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.02 -18.04 58.42 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.917 0.887 . . . . 0.0 112.898 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -105.85 -27.74 11.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.314 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -115.49 107.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.772 1.629 . . . . 0.0 110.433 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -77.97 -27.16 49.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -126.33 77.23 72.62 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.657 1.583 . . . . 0.0 111.244 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.6 156.19 44.83 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.195 2.597 . . . . 0.0 111.562 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.05 166.1 32.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.929 1.692 . . . . 0.0 112.205 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.48 158.88 21.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.244 1.818 . . . . 0.0 111.036 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.07 -35.29 64.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.324 0.65 . . . . 0.0 112.598 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.96 -43.23 93.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.646 0.657 . . . . 0.0 111.657 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -62.7 -43.08 99.72 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.839 0.856 . . . . 0.0 111.104 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 87.9 mtp -62.63 -46.04 90.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.513 0.597 . . . . 0.0 111.716 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.83 -42.27 88.86 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.549 -0.72 . . . . 0.0 112.578 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -64.55 -45.37 87.38 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.427 1.091 . . . . 0.0 111.971 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -61.52 -39.85 92.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.461 0.705 . . . . 0.0 112.136 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.7 -41.99 78.38 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.144 -0.972 . . . . 0.0 111.797 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.78 -10.68 58.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.965 0.906 . . . . 0.0 113.255 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.92 4.93 43.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.998 1.719 . . . . 0.0 113.065 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 64.66 27.9 13.16 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.795 2.038 . . . . 0.0 113.613 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -74.98 -15.23 60.67 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.053 1.341 . . . . 0.0 113.401 -171.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -98.0 104.55 16.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.089 1.355 . . . . 0.0 111.13 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.55 -10.03 22.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.927 1.291 . . . . 0.0 113.103 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -145.79 149.39 34.27 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.691 1.996 . . . . 0.0 109.599 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -66.28 -27.52 68.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.02 0.528 . . . . 0.0 112.191 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.56 -43.74 89.47 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.885 1.274 . . . . 0.0 113.051 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -72.32 -35.68 68.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.074 0.852 . . . . 0.0 112.303 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.16 -39.42 86.47 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.188 0.995 . . . . 0.0 111.474 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.6 -41.16 79.98 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.039 1.335 . . . . 0.0 111.331 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.49 -34.02 75.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.146 0.979 . . . . 0.0 113.52 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.59 -30.83 69.66 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.53 -43.05 77.59 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.593 -0.692 . . . . 0.0 110.882 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.28 -35.45 73.77 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.852 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.86 -42.64 99.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.14 0.882 . . . . 0.0 111.337 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.19 -46.09 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.046 0.938 . . . . 0.0 111.301 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.46 -57.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.44 0.696 . . . . 0.0 110.29 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -64.1 -27.96 69.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.9 -22.78 64.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.418 1.008 . . . . 0.0 112.639 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.47 -45.84 24.37 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.437 -0.789 . . . . 0.0 110.04 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.93 -25.77 68.49 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.193 . . . . 0.0 113.024 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -84.68 -14.76 47.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.971 1.708 . . . . 0.0 113.948 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.614 ' HH ' HG11 ' B' ' 77' ' ' VAL . 84.1 t80 -147.85 86.51 1.58 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.979 1.312 . . . . 0.0 111.747 -174.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -165.0 -168.82 1.52 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.892 2.077 . . . . 0.0 110.945 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -133.89 156.44 48.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.293 1.437 . . . . 0.0 109.393 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.6 23.14 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.721 2.008 . . . . 0.0 116.362 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -156.36 11.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.51 1.924 . . . . 0.0 113.956 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 19.7 p -83.81 156.92 22.24 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.885 -1.135 . . . . 0.0 112.065 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 16.6 tt -68.78 -38.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 111.88 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -72.04 -33.44 67.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.238 1.015 . . . . 0.0 113.332 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -57.17 -48.35 78.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.955 0.902 . . . . 0.0 111.029 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.08 -26.31 56.37 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.7 74.25 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.338 -0.851 . . . . 0.0 112.66 171.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.29 71.54 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.434 -0.791 . . . . 0.0 112.739 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.21 -39.55 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.829 0.852 . . . . 0.0 110.767 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -57.87 -48.61 79.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.764 0.826 . . . . 0.0 111.837 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.91 -43.36 98.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.941 0.897 . . . . 0.0 112.496 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -56.67 -33.76 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.746 0.819 . . . . 0.0 113.028 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -88.03 -62.8 1.41 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.782 1.233 . . . . 0.0 111.127 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -67.63 -45.8 74.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.149 0.58 . . . . 0.0 112.286 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.54 -11.25 77.99 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.544 -0.587 . . . . 0.0 113.439 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.63 90.4 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.425 1.112 . . . . 0.0 110.748 169.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.34 92.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.635 0.774 . . . . 0.0 111.695 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.76 -38.62 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.202 1.001 . . . . 0.0 111.623 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.6 mt -69.74 -40.5 76.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.579 0.752 . . . . 0.0 111.403 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -65.11 -50.17 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -65.7 -32.52 74.12 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.244 1.018 . . . . 0.0 112.247 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.73 21.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.571 0.749 . . . . 0.0 111.56 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.72 -29.58 70.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.145 1.378 . . . . 0.0 111.974 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -54.61 -32.48 58.86 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.18 0.992 . . . . 0.0 113.402 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -72.52 -22.0 61.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.543 1.137 . . . . 0.0 112.809 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.41 11.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.908 1.283 . . . . 0.0 112.03 170.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.38 -31.12 72.2 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 CA-C-O 119.517 -0.602 . . . . 0.0 113.531 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.93 -38.08 81.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.658 1.183 . . . . 0.0 112.719 172.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.45 -17.46 60.14 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.079 0.951 . . . . 0.0 112.96 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 71.0 mt -76.81 -27.19 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.473 1.109 . . . . 0.0 111.154 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.18 -52.64 53.65 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.529 -0.732 . . . . 0.0 109.882 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.0 -41.45 99.58 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.186 0.594 . . . . 0.0 111.941 -170.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.181 0.446 . . . . 0.0 111.961 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -71.41 -29.32 64.78 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.6 m -72.76 -49.97 27.52 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.169 0.987 . . . . 0.0 110.676 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.15 -39.54 82.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.745 0.818 . . . . 0.0 112.397 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -63.04 -29.02 70.49 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.05 -34.24 43.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.687 1.131 . . . . 0.0 112.112 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.19 -31.93 72.51 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.827 1.194 . . . . 0.0 111.475 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.09 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -88.32 -13.59 40.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.195 0.998 . . . . 0.0 113.01 171.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -80.11 -20.44 45.03 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.714 -1.241 . . . . 0.0 113.171 173.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -100.3 84.29 2.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.433 1.493 . . . . 0.0 110.475 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -86.43 -5.46 59.15 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.788 1.235 . . . . 0.0 114.078 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.94 -12.15 62.48 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.298 1.428 . . . . 0.0 113.739 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 61.68 24.71 14.76 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.658 1.983 . . . . 0.0 113.175 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.64 -32.87 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.167 1.387 . . . . 0.0 112.133 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.29 -20.94 11.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.587 1.555 . . . . 0.0 112.271 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -57.62 -21.81 41.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.097 1.359 . . . . 0.0 114.134 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -132.47 155.47 81.22 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.203 1.801 . . . . 0.0 112.022 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.45 146.21 67.56 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.749 3.633 . . . . 0.0 112.231 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.64 125.9 89.15 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.089 0.956 . . . . 0.0 109.269 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 129.02 13.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.293 2.662 . . . . 0.0 111.893 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.39 -14.5 62.19 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.927 0.891 . . . . 0.0 113.028 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -69.97 -31.71 69.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.526 0.73 . . . . 0.0 112.004 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -88.56 -34.94 17.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.931 0.892 . . . . 0.0 112.031 172.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 t -128.89 79.36 74.69 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.75 1.22 . . . . 0.0 110.395 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.09 -16.22 15.9 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 123.262 2.641 . . . . 0.0 113.259 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -93.72 1.3 56.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.423 1.089 . . . . 0.0 113.115 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -55.68 -41.56 73.89 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.208 1.003 . . . . 0.0 112.512 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 mt -75.29 -19.61 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.194 1.397 . . . . 0.0 113.324 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.75 -19.54 28.96 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.743 1.217 . . . . 0.0 112.853 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -102.63 -28.6 12.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.637 1.175 . . . . 0.0 112.876 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.4 mm -114.57 120.81 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.626 1.57 . . . . 0.0 110.033 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -80.57 -26.39 37.97 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -130.92 63.59 70.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.886 1.674 . . . . 0.0 111.674 -177.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.94 129.19 16.99 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.615 2.876 . . . . 0.0 110.834 -172.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 17.5 ttt -161.87 154.98 20.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.745 1.218 . . . . 0.0 112.471 -169.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -151.43 179.15 8.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.826 2.05 . . . . 0.0 111.833 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.98 -32.57 66.21 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.31 -39.48 94.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.38 0.991 . . . . 0.0 111.471 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.1 m -66.19 -40.83 90.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.201 1.0 . . . . 0.0 111.325 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 80.4 mtp -60.5 -49.14 78.75 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.42 0.555 . . . . 0.0 111.519 171.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -59.01 -42.34 89.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.035 0.934 . . . . 0.0 112.498 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.97 -47.05 78.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.462 1.105 . . . . 0.0 111.906 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.71 -35.76 78.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.072 0.549 . . . . 0.0 112.244 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.94 -43.87 56.85 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.408 1.083 . . . . 0.0 111.913 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.63 -16.82 64.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.031 0.933 . . . . 0.0 113.389 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 -5.71 28.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.465 1.506 . . . . 0.0 113.369 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 74.34 37.1 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.315 2.646 . . . . 0.0 114.372 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -80.66 -15.47 56.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.659 1.183 . . . . 0.0 113.447 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -89.17 104.27 16.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.175 0.99 . . . . 0.0 111.407 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.34 -1.86 24.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.478 1.511 . . . . 0.0 112.886 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -145.1 139.34 27.27 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.07 1.748 . . . . 0.0 109.391 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -64.04 -25.37 68.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.735 0.814 . . . . 0.0 111.825 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -62.28 -40.24 95.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.36 1.064 . . . . 0.0 112.712 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.04 -36.04 56.37 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.706 0.802 . . . . 0.0 112.039 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -64.31 -39.15 93.34 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.578 1.151 . . . . 0.0 111.906 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.32 -41.06 70.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.645 1.178 . . . . 0.0 111.658 174.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -64.92 -36.18 83.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.039 -1.038 . . . . 0.0 113.339 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -71.38 -22.87 61.82 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.82 -43.37 65.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.389 0.995 . . . . 0.0 109.808 169.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -59.0 -32.42 69.68 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.609 0.763 . . . . 0.0 112.262 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.67 -41.35 99.03 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.903 0.881 . . . . 0.0 112.154 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.01 -43.82 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.536 -0.727 . . . . 0.0 110.621 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.77 -53.98 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.843 0.857 . . . . 0.0 110.673 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -66.29 -35.5 80.56 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.15 -30.72 70.56 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.996 173.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 46.3 t -73.52 -47.99 36.66 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.551 0.614 . . . . 0.0 111.435 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.5 -27.52 67.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.348 1.059 . . . . 0.0 112.428 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -73.69 -19.69 60.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.267 1.427 . . . . 0.0 114.284 171.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -126.39 56.76 1.44 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.97 1.708 . . . . 0.0 112.376 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.454 ' ND2' ' HG1' ' B' ' 127' ' ' THR . 1.9 m120 -166.73 152.23 8.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.49 1.516 . . . . 0.0 112.068 173.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.53 157.11 22.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.341 1.056 . . . . 0.0 109.754 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -64.7 -11.29 34.3 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -172.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -109.48 1.08 19.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.667 1.587 . . . . 0.0 114.335 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' THR . . . . . 0.454 ' HG1' ' ND2' ' B' ' 123' ' ' ASN . 25.4 p -85.95 158.59 19.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.279 0.945 . . . . 0.0 112.435 -175.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.3 tt -60.41 -42.0 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.945 0.898 . . . . 0.0 111.492 170.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -69.03 -36.45 77.76 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.734 1.213 . . . . 0.0 112.333 -172.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.84 -52.86 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.646 0.778 . . . . 0.0 110.571 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -37.35 87.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.695 1.198 . . . . 0.0 111.465 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.79 -34.88 71.98 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.102 0.865 . . . . 0.0 112.942 175.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.07 68.56 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.565 -0.709 . . . . 0.0 112.686 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.9 -41.67 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.481 0.582 . . . . 0.0 110.316 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -37.65 88.33 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.35 1.06 . . . . 0.0 112.195 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.38 -45.57 90.48 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.882 0.873 . . . . 0.0 111.931 169.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -57.17 -34.44 68.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.87 0.868 . . . . 0.0 112.834 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -83.48 -65.27 1.03 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.292 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.71 -44.14 74.52 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.61 -16.86 72.21 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 118.499 0.59 . . . . 0.0 113.251 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.65 87.82 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 118.158 0.979 . . . . 0.0 110.847 169.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.34 92.51 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.417 0.687 . . . . 0.0 111.892 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.92 -38.95 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.106 0.963 . . . . 0.0 111.397 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.23 -39.59 71.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.637 0.775 . . . . 0.0 111.256 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -64.93 -48.52 73.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.232 1.013 . . . . 0.0 112.487 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.03 -32.02 73.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.765 0.826 . . . . 0.0 112.285 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.03 -22.61 19.04 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.263 1.025 . . . . 0.0 112.93 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -60.02 -32.75 71.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.198 0.999 . . . . 0.0 111.801 169.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -57.64 -30.41 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.793 1.237 . . . . 0.0 113.482 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -71.11 -25.11 62.45 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 112.26 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.15 -43.9 11.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.935 1.294 . . . . 0.0 111.921 170.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -31.03 71.78 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.14 -39.85 83.65 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.414 1.086 . . . . 0.0 112.695 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.0 -22.17 64.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.739 0.816 . . . . 0.0 112.752 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.39 -34.52 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.064 0.946 . . . . 0.0 110.517 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.86 -46.17 91.64 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.875 -0.516 . . . . 0.0 110.194 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.88 -45.75 70.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.909 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -64.75 -32.98 74.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.619 0.645 . . . . 0.0 112.529 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -77.26 -22.63 51.86 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.7 m -87.75 -38.06 16.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.644 1.178 . . . . 0.0 112.217 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.59 -40.95 76.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.546 1.066 . . . . 0.0 112.902 -176.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.35 -29.71 70.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 174.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.35 -15.95 60.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.422 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.97 -37.3 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.591 1.087 . . . . 0.0 109.546 169.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -66.13 -32.03 73.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.665 0.786 . . . . 0.0 112.375 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.04 -15.08 63.5 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -85.74 -6.83 59.07 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.6 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -109.63 78.1 1.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.479 1.912 . . . . 0.0 110.156 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -82.45 -7.18 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.055 1.342 . . . . 0.0 114.09 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.42 65.08 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.122 1.82 . . . . 0.0 113.889 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 62.4 26.35 15.72 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.457 1.903 . . . . 0.0 113.356 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.0 mt -74.26 -31.74 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.939 1.695 . . . . 0.0 112.25 -173.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -113.47 -16.16 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.824 1.65 . . . . 0.0 112.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -61.12 -23.96 65.9 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.85 1.26 . . . . 0.0 113.744 170.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.52 152.13 79.45 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.699 1.6 . . . . 0.0 112.066 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.88 151.76 68.47 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.861 3.707 . . . . 0.0 112.996 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.55 124.97 86.36 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 124.369 1.068 . . . . 0.0 109.766 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.44 117.19 4.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.282 2.655 . . . . 0.0 110.837 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.4 mt -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.6 m -69.8 -26.91 64.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.02 0.928 . . . . 0.0 112.429 170.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -92.62 -35.19 13.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.268 1.027 . . . . 0.0 111.84 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.11 82.44 66.1 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.981 1.312 . . . . 0.0 110.556 -176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.32 -12.69 18.95 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.283 2.655 . . . . 0.0 112.849 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -99.45 13.1 34.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.811 1.644 . . . . 0.0 112.912 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.88 -41.15 81.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.797 -1.189 . . . . 0.0 112.148 -176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.27 -18.96 59.96 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.211 1.404 . . . . 0.0 113.405 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.24 -27.43 59.49 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.063 0.945 . . . . 0.0 112.399 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -94.72 -33.74 12.81 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.067 0.947 . . . . 0.0 112.806 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.0 mm -118.56 113.01 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.195 1.398 . . . . 0.0 111.25 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -76.15 -27.66 57.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -133.45 81.61 54.39 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 125.009 1.323 . . . . 0.0 111.462 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.63 150.08 21.43 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.048 3.165 . . . . 0.0 111.491 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 41.9 ttm -164.83 157.13 16.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.067 1.347 . . . . 0.0 113.126 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -151.37 170.21 20.1 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.534 2.334 . . . . 0.0 110.571 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.33 -26.14 67.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.11 -41.57 90.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.125 0.57 . . . . 0.0 111.601 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 94.9 m -65.24 -41.09 94.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.95 0.9 . . . . 0.0 111.061 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.0 mmm -59.57 -49.91 75.92 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.462 0.574 . . . . 0.0 111.202 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.56 -44.9 81.38 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.6 -44.08 91.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.685 0.794 . . . . 0.0 111.744 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.87 -39.25 88.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.955 0.902 . . . . 0.0 112.012 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.24 -43.69 70.06 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.841 -1.162 . . . . 0.0 111.699 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.15 -11.04 60.44 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.221 1.008 . . . . 0.0 113.127 174.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.71 10.87 32.66 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.476 1.91 . . . . 0.0 112.901 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 63.44 22.93 13.47 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.128 1.771 . . . . 0.0 113.923 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.39 -27.01 64.94 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.298 1.039 . . . . 0.0 113.247 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -90.53 106.72 18.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.48 1.112 . . . . 0.0 111.306 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.28 -22.68 13.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.888 1.275 . . . . 0.0 112.829 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.56 150.65 51.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.514 1.926 . . . . 0.0 109.618 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.29 -24.37 66.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.835 0.454 . . . . 0.0 112.16 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.72 -44.48 73.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.164 1.385 . . . . 0.0 112.547 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 -33.07 64.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.644 0.778 . . . . 0.0 112.414 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -69.12 -35.7 76.71 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.088 0.955 . . . . 0.0 111.518 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.44 -36.09 63.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.339 1.455 . . . . 0.0 112.056 174.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -78.35 -31.97 48.84 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.07 -29.95 65.96 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.635 -0.665 . . . . 0.0 111.147 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -67.59 -43.45 80.49 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.072 -1.017 . . . . 0.0 110.283 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -58.21 -30.49 66.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.244 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.5 -44.79 77.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.193 0.997 . . . . 0.0 112.355 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.38 -39.9 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.988 0.915 . . . . 0.0 110.978 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.3 -60.33 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.489 0.715 . . . . 0.0 110.82 172.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 84.7 p -65.85 -36.18 82.74 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -74.91 -8.17 55.68 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.54 -47.54 8.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.405 0.682 . . . . 0.0 109.663 169.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.11 -25.29 67.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.341 1.057 . . . . 0.0 112.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -76.33 -15.43 59.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.914 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -144.03 81.1 1.67 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 111.183 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.42 169.15 4.47 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.492 1.917 . . . . 0.0 111.336 174.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 158.81 15.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.322 1.049 . . . . 0.0 111.415 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -77.56 10.14 2.85 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -128.77 9.09 5.84 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.133 1.773 . . . . 0.0 113.596 -172.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 66.9 p -105.66 162.67 13.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.911 1.284 . . . . 0.0 113.555 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -66.15 -40.56 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 111.277 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -68.51 -38.18 80.7 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.272 1.029 . . . . 0.0 112.939 -170.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.48 -49.77 72.31 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.121 0.568 . . . . 0.0 110.638 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -62.06 -33.17 73.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.599 1.16 . . . . 0.0 112.922 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.17 -35.01 78.86 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.542 1.065 . . . . 0.0 112.871 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.02 70.19 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.505 -0.747 . . . . 0.0 112.425 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.93 -40.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.108 0.563 . . . . 0.0 110.761 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -63.01 -42.83 99.92 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.884 0.874 . . . . 0.0 111.779 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.8 -45.33 92.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.233 1.013 . . . . 0.0 112.461 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -58.54 -32.89 69.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.948 0.899 . . . . 0.0 113.228 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -82.55 -63.08 1.44 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.622 1.169 . . . . 0.0 111.359 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.68 -49.85 60.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.84 0.856 . . . . 0.0 112.469 -170.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.62 -9.68 85.34 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.423 -0.654 . . . . 0.0 113.605 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.78 -33.81 88.23 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 118.399 1.1 . . . . 0.0 111.189 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.3 -41.88 72.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.849 0.86 . . . . 0.0 111.924 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.03 -38.65 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.461 1.104 . . . . 0.0 111.245 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.9 mt -71.2 -31.04 67.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.132 0.573 . . . . 0.0 111.871 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -45.84 49.73 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.047 0.839 . . . . 0.0 113.14 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.13 -23.56 67.17 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.756 1.223 . . . . 0.0 112.637 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.4 -32.02 12.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.619 0.767 . . . . 0.0 112.569 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.67 -39.27 87.82 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.467 1.107 . . . . 0.0 112.657 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -64.11 -18.29 64.26 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.87 -20.53 58.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.412 1.085 . . . . 0.0 112.712 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.99 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.931 1.292 . . . . 0.0 112.424 171.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.6 -31.93 73.23 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.432 0.693 . . . . 0.0 112.846 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 CA-C-O 119.118 -0.824 . . . . 0.0 114.673 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.15 -39.69 87.23 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.353 1.077 . . . . 0.0 112.828 173.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -24.34 61.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.679 0.791 . . . . 0.0 112.038 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.6 mt -68.46 -32.1 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.578 0.751 . . . . 0.0 111.072 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.64 -43.52 96.55 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.543 -0.723 . . . . 0.0 110.421 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.59 -44.19 71.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.03 0.532 . . . . 0.0 111.681 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.32 -31.41 72.02 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.91 -37.35 62.11 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 112.368 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.3 m -73.93 -47.43 37.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.158 1.383 . . . . 0.0 111.687 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.06 -36.17 76.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.214 0.916 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -71.63 -21.5 61.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.865 0.866 . . . . 0.0 112.877 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.36 -33.02 28.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.63 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.01 -32.89 74.35 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.158 1.345 . . . . 0.0 111.864 169.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -65.99 -16.13 63.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.237 1.015 . . . . 0.0 113.161 174.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -91.42 0.33 57.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.042 1.337 . . . . 0.0 112.931 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -103.33 -4.77 23.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.167 1.387 . . . . 0.0 113.621 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -105.19 99.74 9.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.787 1.635 . . . . 0.0 109.55 170.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.1 t -96.65 -0.17 48.89 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.939 1.296 . . . . 0.0 114.427 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.97 -9.71 44.76 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.186 1.374 . . . . 0.0 114.204 170.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 m120 61.39 23.47 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.516 1.926 . . . . 0.0 112.811 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 -31.93 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.739 1.616 . . . . 0.0 112.038 -173.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -112.92 -18.04 12.34 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.803 1.641 . . . . 0.0 112.135 -177.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -53.91 -25.81 22.02 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.41 1.484 . . . . 0.0 114.042 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.98 156.46 80.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.481 1.913 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.88 146.01 76.5 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.459 3.439 . . . . 0.0 111.84 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.39 126.65 92.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 123.857 0.863 . . . . 0.0 109.705 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 111.77 3.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.195 2.597 . . . . 0.0 110.669 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.84 -22.65 64.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.007 0.523 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.49 -17.96 48.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.107 1.363 . . . . 0.0 113.949 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -123.19 7.11 9.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.236 1.414 . . . . 0.0 113.747 170.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.5 t -149.51 73.17 9.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.974 1.709 . . . . 0.0 109.418 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.27 -12.51 15.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.926 2.418 . . . . 0.0 112.906 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.79 5.2 51.06 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.305 1.442 . . . . 0.0 113.142 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.03 -41.08 77.93 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.05 -1.031 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -74.33 -20.67 60.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.148 1.379 . . . . 0.0 113.343 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.94 -15.06 45.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.819 1.248 . . . . 0.0 112.891 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -108.28 -32.16 7.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.829 1.252 . . . . 0.0 113.003 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.11 116.5 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.475 1.51 . . . . 0.0 109.759 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -77.8 -28.35 50.38 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.13 67.38 80.61 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.898 1.679 . . . . 0.0 111.06 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.62 132.27 21.63 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.728 2.952 . . . . 0.0 110.77 -171.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.02 155.25 25.04 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -169.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -156.48 177.87 10.97 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.678 2.391 . . . . 0.0 110.984 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -58.89 -28.0 65.75 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.19 -39.36 89.65 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.626 1.103 . . . . 0.0 111.613 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.4 m -65.96 -42.11 90.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 0.0 111.157 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -62.12 -46.5 88.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.765 0.711 . . . . 0.0 111.311 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.8 -44.11 81.6 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.717 -0.614 . . . . 0.0 112.352 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -65.12 -42.51 93.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.028 0.931 . . . . 0.0 112.446 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -60.02 -40.25 88.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.052 0.541 . . . . 0.0 112.019 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.12 -40.32 71.5 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.149 0.98 . . . . 0.0 111.959 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.42 -18.78 62.48 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.542 1.137 . . . . 0.0 112.999 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.93 4.3 39.94 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.059 1.744 . . . . 0.0 113.227 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 64.94 23.81 12.62 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.707 2.003 . . . . 0.0 113.717 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -69.4 -21.68 63.75 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 112.831 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 103.28 14.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.767 1.227 . . . . 0.0 110.92 173.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.21 -15.01 18.25 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.246 1.418 . . . . 0.0 113.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -140.4 143.27 35.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.296 2.238 . . . . 0.0 110.002 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -67.68 -23.77 65.34 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.15 -39.65 93.26 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.666 -0.647 . . . . 0.0 112.709 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.02 -27.96 54.76 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.318 0.963 . . . . 0.0 112.483 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.09 -38.41 78.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.597 0.759 . . . . 0.0 111.719 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.71 -36.74 67.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.823 1.249 . . . . 0.0 112.027 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.64 -31.57 62.01 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.31 -27.43 67.16 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.612 -0.68 . . . . 0.0 112.359 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -71.26 -43.61 66.88 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.895 0.77 . . . . 0.0 110.857 169.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.53 -32.02 69.94 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.687 -0.633 . . . . 0.0 112.516 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.37 -45.43 93.21 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.871 1.268 . . . . 0.0 111.833 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.97 -44.37 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.783 0.833 . . . . 0.0 110.75 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.73 -57.95 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.709 0.804 . . . . 0.0 110.494 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.1 p -65.86 -34.16 77.5 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.01 -21.11 66.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.034 -1.041 . . . . 0.0 113.752 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -74.54 -49.08 23.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.797 0.726 . . . . 0.0 110.962 171.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.11 -36.47 84.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.144 1.378 . . . . 0.0 111.72 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -67.67 -17.22 64.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.275 1.43 . . . . 0.0 114.571 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -111.11 2.28 17.79 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.99 156.22 36.82 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.565 -1.334 . . . . 0.0 111.383 -170.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.08 175.84 9.69 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.682 0.753 . . . . 0.0 111.943 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -0.81 10.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -170.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.31 17.47 0.94 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 69.8 p -84.91 158.22 20.63 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.23 -0.919 . . . . 0.0 112.458 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.64 -43.88 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.308 1.043 . . . . 0.0 112.115 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -68.75 -39.76 80.14 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.737 0.815 . . . . 0.0 111.793 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -56.71 -49.84 73.96 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.811 . . . . 0.0 110.5 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -70.94 -26.91 63.39 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.3 82.36 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.432 1.014 . . . . 0.0 112.171 170.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.55 71.32 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.485 -0.76 . . . . 0.0 112.268 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.34 -42.93 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.277 0.631 . . . . 0.0 110.603 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -62.02 -44.14 97.35 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.014 0.926 . . . . 0.0 111.82 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -58.37 -44.08 88.72 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.096 0.862 . . . . 0.0 112.217 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -57.68 -30.88 65.83 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -87.69 -62.49 1.48 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.873 1.269 . . . . 0.0 111.351 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.88 -48.09 78.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.868 0.867 . . . . 0.0 112.044 -171.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.63 -9.57 68.7 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.697 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.82 92.53 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 118.561 1.18 . . . . 0.0 110.65 169.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.12 97.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.771 0.828 . . . . 0.0 111.875 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.38 -35.73 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.478 1.111 . . . . 0.0 111.825 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.8 mt -73.31 -39.23 65.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.535 0.734 . . . . 0.0 111.5 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -68.57 -39.65 80.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.04 0.936 . . . . 0.0 113.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -72.0 -33.79 68.37 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.429 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.88 -26.57 25.55 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.749 -0.594 . . . . 0.0 111.453 -170.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -59.61 -32.18 70.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.83 1.652 . . . . 0.0 111.662 169.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -59.15 -33.22 70.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.934 0.894 . . . . 0.0 113.023 175.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.22 -20.58 61.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.839 1.256 . . . . 0.0 112.789 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.84 -40.2 13.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.151 0.98 . . . . 0.0 112.613 171.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.3 -31.4 69.85 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.752 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.52 -38.8 85.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.244 1.018 . . . . 0.0 112.402 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -22.06 61.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.702 1.201 . . . . 0.0 112.446 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.29 -38.74 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.91 0.884 . . . . 0.0 111.524 171.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.21 -45.09 65.09 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.938 0.79 . . . . 0.0 110.758 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.42 -27.13 68.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.502 0.721 . . . . 0.0 112.362 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -68.02 -50.55 54.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.085 0.857 . . . . 0.0 110.214 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.86 -39.93 86.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.68 1.192 . . . . 0.0 111.964 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -70.33 -49.38 49.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.809 1.244 . . . . 0.0 111.633 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.1 -37.68 80.7 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.614 1.097 . . . . 0.0 112.349 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.69 -19.43 64.38 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -88.9 -29.55 19.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.0 0.92 . . . . 0.0 112.022 173.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -30.91 71.47 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.155 1.343 . . . . 0.0 111.653 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -68.71 -18.22 64.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -82.21 -0.44 45.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.007 . . . . 0.0 112.629 172.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -106.13 2.87 27.42 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.599 1.56 . . . . 0.0 113.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -122.91 101.31 7.36 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.877 1.671 . . . . 0.0 109.887 170.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t -102.6 -0.08 32.52 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.91 1.284 . . . . 0.0 114.366 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.69 -10.86 54.98 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.196 1.379 . . . . 0.0 114.03 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.3 28.11 16.21 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.626 1.97 . . . . 0.0 113.455 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.91 -32.05 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.178 1.391 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -115.06 -15.63 11.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.574 1.549 . . . . 0.0 111.885 -177.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 44.9 m -53.79 -27.76 31.05 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.31 150.94 66.03 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 126.457 1.903 . . . . 0.0 112.197 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.31 153.44 78.26 Favored 'Trans proline' 0 CA--C 1.539 0.755 1 C-N-CA 125.409 4.072 . . . . 0.0 112.738 -174.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 46.0 t -59.99 126.88 84.74 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.951 0.9 . . . . 0.0 110.008 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 111.6 2.96 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.29 2.66 . . . . 0.0 110.459 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.71 -18.87 62.8 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -59.53 -18.37 39.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.076 1.35 . . . . 0.0 113.815 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.93 8.56 10.49 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.277 1.431 . . . . 0.0 113.761 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 43.7 t -148.35 90.79 4.89 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.646 1.578 . . . . 0.0 110.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.63 -5.36 12.44 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.19 2.593 . . . . 0.0 113.006 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.21 6.28 26.54 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.647 1.579 . . . . 0.0 113.78 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.69 -43.6 85.24 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.831 -1.168 . . . . 0.0 112.25 -172.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.56 -18.97 61.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.21 1.404 . . . . 0.0 113.55 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.43 -12.54 59.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.501 1.12 . . . . 0.0 112.934 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -114.67 -26.25 7.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.839 1.256 . . . . 0.0 113.658 173.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mm -116.06 108.8 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.46 1.504 . . . . 0.0 110.009 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.91 -26.82 43.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.647 1.179 . . . . 0.0 113.54 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -129.17 72.51 81.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.086 1.754 . . . . 0.0 110.854 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.2 134.85 21.76 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.338 2.692 . . . . 0.0 111.105 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 2.9 tpt -147.53 159.28 43.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.011 1.324 . . . . 0.0 113.433 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -159.36 160.04 34.54 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.017 1.727 . . . . 0.0 111.348 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.53 -33.49 63.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.65 0.78 . . . . 0.0 112.88 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.05 -43.5 98.46 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.009 0.523 . . . . 0.0 111.405 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -64.22 -43.53 94.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.729 0.812 . . . . 0.0 111.246 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.8 mtp -61.52 -45.7 93.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.697 0.681 . . . . 0.0 112.008 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.82 -47.55 84.41 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.521 -0.737 . . . . 0.0 112.405 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -60.72 -43.42 97.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.706 0.803 . . . . 0.0 111.812 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.46 -40.68 97.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.829 0.852 . . . . 0.0 112.481 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.54 -41.79 79.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.23 -0.919 . . . . 0.0 111.651 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.8 -9.7 52.54 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.786 0.834 . . . . 0.0 113.101 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.45 8.48 35.67 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.18 1.792 . . . . 0.0 113.21 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 64.54 25.38 13.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.695 1.998 . . . . 0.0 114.268 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -64.36 -26.11 68.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.677 1.191 . . . . 0.0 113.607 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -91.77 103.18 15.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.479 1.112 . . . . 0.0 111.868 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.92 -10.82 22.29 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.053 1.341 . . . . 0.0 113.166 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -144.05 146.53 32.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.022 1.729 . . . . 0.0 110.028 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.49 -25.84 67.66 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 122.079 -0.388 . . . . 0.0 111.705 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.76 -22.35 66.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.786 1.634 . . . . 0.0 113.892 176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -92.36 -38.96 11.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.5 1.12 . . . . 0.0 111.537 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.66 -39.82 91.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.219 1.007 . . . . 0.0 112.243 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.73 -35.16 76.77 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.11 0.964 . . . . 0.0 111.719 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -79.16 -32.85 44.43 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.255 1.422 . . . . 0.0 112.227 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.25 -28.38 67.17 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.402 -0.811 . . . . 0.0 112.158 170.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.99 -42.47 66.43 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.777 0.717 . . . . 0.0 110.776 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -56.1 -34.54 66.13 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.905 -0.497 . . . . 0.0 111.626 172.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.6 tp -64.08 -39.36 93.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.2 1.4 . . . . 0.0 112.635 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.23 -44.33 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.907 0.883 . . . . 0.0 110.579 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.83 -55.28 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.808 0.843 . . . . 0.0 110.577 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.7 p -64.83 -31.08 72.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.89 -32.01 73.27 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.07 -1.019 . . . . 0.0 112.76 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.3 t -71.64 -24.49 61.87 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.167 -0.958 . . . . 0.0 112.48 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.07 2.52 51.75 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.172 1.389 . . . . 0.0 112.668 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -118.33 -18.26 9.27 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.941 1.697 . . . . 0.0 114.885 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -139.55 82.59 1.89 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.403 1.481 . . . . 0.0 110.787 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -171.42 -179.03 2.48 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.21 1.804 . . . . 0.0 112.333 -169.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.71 158.11 26.17 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.826 1.65 . . . . 0.0 108.84 169.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.72 -2.17 19.29 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -124.02 6.95 8.59 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.429 1.492 . . . . 0.0 114.01 -172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 33.0 p -83.57 157.33 22.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.06 0.933 . . . . 0.0 113.355 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.9 tt -60.29 -40.62 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.292 1.037 . . . . 0.0 110.751 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.35 -43.13 86.9 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.039 1.336 . . . . 0.0 112.41 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -56.95 -48.71 77.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.292 1.037 . . . . 0.0 110.99 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -73.55 -26.37 60.82 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.1 79.84 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.73 1.15 . . . . 0.0 112.257 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.18 70.61 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.472 -0.768 . . . . 0.0 112.643 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.72 -40.73 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 0.0 110.577 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.3 -43.53 98.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 112.073 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.81 -44.57 93.93 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.827 0.851 . . . . 0.0 112.378 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -59.27 -31.69 69.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.912 0.885 . . . . 0.0 113.147 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -87.93 -64.25 1.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.068 1.347 . . . . 0.0 111.136 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.19 -45.83 65.82 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.371 0.668 . . . . 0.0 112.23 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.29 -12.24 82.41 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 118.444 0.566 . . . . 0.0 113.12 173.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.93 -37.3 94.44 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.35 94.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.726 0.763 . . . . 0.0 112.147 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.78 -36.8 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.159 0.983 . . . . 0.0 111.874 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.45 -38.17 68.34 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.672 0.789 . . . . 0.0 111.55 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -66.59 -48.7 68.72 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.245 1.018 . . . . 0.0 112.963 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.23 -35.88 82.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.373 1.069 . . . . 0.0 112.382 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.76 -26.29 22.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.744 0.818 . . . . 0.0 112.509 -169.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.11 -28.53 67.94 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.443 1.497 . . . . 0.0 112.198 169.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -63.11 -28.25 69.95 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.235 -0.915 . . . . 0.0 113.136 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.91 -21.95 62.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.244 1.018 . . . . 0.0 112.688 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 -41.71 11.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.81 1.244 . . . . 0.0 112.775 173.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.39 -27.54 63.4 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 O-C-N 121.138 -0.976 . . . . 0.0 113.518 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.91 0.386 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.32 135.36 7.77 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.431 1.491 . . . . 0.0 112.753 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -146.4 71.91 1.27 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.351 1.861 . . . . 0.0 110.024 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.11 178.4 23.24 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.879 1.228 . . . . 0.0 113.389 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.96 5.02 0.07 OUTLIER Glycine 0 CA--C 1.538 1.494 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.28 31.68 65.92 Favored Glycine 0 N--CA 1.475 1.251 0 CA-C-N 119.153 1.476 . . . . 0.0 115.018 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -133.12 136.96 46.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.833 1.253 . . . . 0.0 112.515 -171.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 -153.58 5.96 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.924 1.726 . . . . 0.0 113.245 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.255 1.378 0 C-N-CA 127.228 2.211 . . . . 0.0 112.289 -179.28 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -159.9 151.33 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.239 1.416 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p -173.37 -166.92 0.36 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.483 1.913 . . . . 0.0 110.796 -169.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.93 6.83 Favored Glycine 0 N--CA 1.473 1.13 0 O-C-N 121.099 -1.001 . . . . 0.0 113.52 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -73.37 -1.56 18.67 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -148.17 154.95 40.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.062 1.745 . . . . 0.0 110.941 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.21 91.13 Favored Glycine 0 N--CA 1.47 0.919 0 O-C-N 121.275 -0.891 . . . . 0.0 112.757 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -62.71 -42.19 99.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.6 1.16 . . . . 0.0 112.55 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.53 -35.85 82.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.655 0.782 . . . . 0.0 111.342 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.48 -33.91 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.892 0.877 . . . . 0.0 112.091 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.56 -45.74 77.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.191 0.905 . . . . 0.0 110.52 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.31 -35.28 79.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.269 0.627 . . . . 0.0 111.414 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -59.06 -52.54 65.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.523 0.729 . . . . 0.0 110.857 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -70.46 -30.41 67.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.623 0.769 . . . . 0.0 112.868 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.5 m -72.15 -43.28 64.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.411 1.085 . . . . 0.0 111.089 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.36 -36.65 78.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.128 0.876 . . . . 0.0 111.998 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.82 -22.66 64.23 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -79.62 -39.04 32.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.299 0.954 . . . . 0.0 111.413 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.87 -32.05 73.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.704 1.138 . . . . 0.0 112.136 172.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.89 -19.73 65.98 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -89.44 5.94 43.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.183 0.993 . . . . 0.0 112.885 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -102.34 -4.06 26.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 113.062 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -117.49 91.81 3.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.134 1.774 . . . . 0.0 110.183 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -92.46 -3.12 55.68 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.796 1.239 . . . . 0.0 114.255 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.87 -10.59 56.27 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.182 1.372 . . . . 0.0 114.182 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 56.69 31.4 19.24 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.323 1.849 . . . . 0.0 113.328 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.46 -32.03 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.888 1.275 . . . . 0.0 111.722 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.36 -19.62 12.55 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.821 1.648 . . . . 0.0 112.046 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.8 m -49.29 -27.01 3.44 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.03 1.732 . . . . 0.0 114.221 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.6 158.57 75.25 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 126.933 2.093 . . . . 0.0 111.508 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.74 149.09 90.23 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.537 3.491 . . . . 0.0 111.946 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.93 125.82 88.69 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.839 . . . . 0.0 109.63 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.06 110.68 2.88 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.276 2.651 . . . . 0.0 110.592 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -69.11 -21.84 64.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.033 0.533 . . . . 0.0 112.27 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.96 -18.69 58.64 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 113.946 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.92 2.7 11.04 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.981 1.312 . . . . 0.0 114.132 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 17.9 t -148.03 81.93 8.01 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.643 1.577 . . . . 0.0 109.746 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.26 -15.69 15.9 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.919 2.412 . . . . 0.0 112.965 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -94.31 3.39 55.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.296 1.438 . . . . 0.0 113.496 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.02 -41.67 78.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.971 -1.08 . . . . 0.0 112.375 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.88 -19.48 58.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.986 1.314 . . . . 0.0 113.282 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.11 -17.79 36.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.716 1.206 . . . . 0.0 112.929 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.91 -26.59 11.15 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.538 1.135 . . . . 0.0 113.592 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.34 116.6 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.108 1.363 . . . . 0.0 109.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -72.24 -29.5 63.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -142.66 75.39 18.57 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.445 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.56 141.54 31.4 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.106 2.537 . . . . 0.0 111.437 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 67.7 mmm -149.83 168.16 24.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.808 2.043 . . . . 0.0 111.509 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -167.38 167.9 13.54 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.221 2.208 . . . . 0.0 111.262 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.39 -27.52 69.06 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -69.59 -40.45 76.67 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.816 0.735 . . . . 0.0 110.767 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 29.5 m -68.21 -37.87 81.34 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 111.304 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 58.6 mmm -55.22 -54.08 47.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.752 0.821 . . . . 0.0 111.041 170.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -58.28 -46.79 85.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.881 0.873 . . . . 0.0 113.292 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.938 0.895 . . . . 0.0 111.726 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.73 -41.15 90.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.614 0.766 . . . . 0.0 111.702 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.02 -45.46 77.46 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.88 -1.138 . . . . 0.0 111.686 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -66.55 -15.2 63.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.095 0.958 . . . . 0.0 113.357 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.71 14.35 32.17 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.164 1.786 . . . . 0.0 113.103 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 62.36 30.34 17.38 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.934 1.694 . . . . 0.0 113.45 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.14 -15.63 55.31 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 113.303 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -113.73 100.98 8.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.194 1.398 . . . . 0.0 111.696 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -3.95 21.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.647 1.579 . . . . 0.0 113.133 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -142.7 143.06 32.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.174 1.79 . . . . 0.0 109.945 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -67.02 -26.42 66.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.883 0.473 . . . . 0.0 112.222 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.71 -43.04 80.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.156 1.382 . . . . 0.0 112.655 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -72.87 -40.51 65.57 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.657 0.662 . . . . 0.0 111.812 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.84 -36.24 82.58 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.981 0.912 . . . . 0.0 111.959 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.36 -44.03 65.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 111.79 172.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.2 -34.91 75.63 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.011 -1.056 . . . . 0.0 113.744 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -70.71 -29.1 65.28 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.521 -0.737 . . . . 0.0 112.661 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.89 -44.83 79.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.243 0.929 . . . . 0.0 110.826 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -57.96 -38.71 76.53 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.752 -0.593 . . . . 0.0 111.918 172.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.86 -45.15 95.67 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 111.642 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.14 -44.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.619 1.167 . . . . 0.0 111.603 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.62 -55.53 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.549 0.74 . . . . 0.0 110.476 172.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -35.0 77.04 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.82 -22.52 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.829 -1.169 . . . . 0.0 113.485 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.82 -53.42 10.28 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.478 0.581 . . . . 0.0 109.712 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.24 -26.24 62.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.163 1.785 . . . . 0.0 113.149 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -80.9 -15.07 57.3 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.67 1.588 . . . . 0.0 115.151 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -137.2 63.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.233 1.413 . . . . 0.0 113.236 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.41 168.5 20.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.377 1.471 . . . . 0.0 112.881 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.68 152.59 19.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.392 1.077 . . . . 0.0 109.747 169.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.02 20.56 0.05 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.627 1.971 . . . . 0.0 115.993 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -147.96 6.28 0.79 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.856 1.662 . . . . 0.0 113.958 -169.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.0 p -90.7 162.8 14.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.901 0.881 . . . . 0.0 112.739 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.43 -43.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.016 0.926 . . . . 0.0 111.11 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -67.11 -40.65 86.9 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.703 1.201 . . . . 0.0 111.966 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -57.86 -51.66 68.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.256 1.022 . . . . 0.0 111.13 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -70.95 -27.63 63.88 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.78 82.13 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.107 -0.996 . . . . 0.0 112.472 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.36 74.51 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.488 -0.758 . . . . 0.0 112.019 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.23 -38.47 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.4 0.68 . . . . 0.0 111.007 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.3 -45.58 87.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.521 0.728 . . . . 0.0 111.954 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.3 -44.29 92.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.845 0.858 . . . . 0.0 112.412 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -56.65 -32.7 65.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.562 1.145 . . . . 0.0 113.113 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.31 -62.82 1.38 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.166 1.386 . . . . 0.0 111.588 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.73 -48.35 64.02 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 112.635 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.59 -9.66 86.63 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.691 -0.631 . . . . 0.0 113.098 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.3 91.6 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.275 1.038 . . . . 0.0 111.206 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.65 82.58 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.37 1.068 . . . . 0.0 112.772 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 99.7 t -61.2 -37.35 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.089 0.956 . . . . 0.0 111.181 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.47 -31.01 66.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.384 0.674 . . . . 0.0 111.981 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.17 -54.75 11.56 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.74 1.155 . . . . 0.0 113.374 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.17 -22.28 62.72 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.642 1.177 . . . . 0.0 113.15 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.069 0.948 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -58.44 -40.88 83.77 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.75 1.22 . . . . 0.0 112.177 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -62.88 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -75.87 -22.14 56.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.37 1.068 . . . . 0.0 112.52 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.18 -44.64 10.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.916 1.286 . . . . 0.0 111.913 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.25 -32.87 73.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -24.58 67.89 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -111.2 -13.42 14.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.631 1.572 . . . . 0.0 114.375 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -78.88 -14.61 81.83 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.719 1.152 . . . . 0.0 113.381 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 5.0 t 62.97 -159.96 0.31 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.897 1.679 . . . . 0.0 112.872 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 95.19 -163.21 24.1 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.354 1.454 . . . . 0.0 113.645 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.97 168.23 25.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 124.331 3.354 . . . . 0.0 112.425 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 72.4 m -141.91 158.06 44.24 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.611 1.564 . . . . 0.0 111.654 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 3.2 t 73.31 179.97 0.21 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.595 1.958 . . . . 0.0 113.27 -176.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 C-N-CA 125.516 1.531 . . . . 0.0 112.87 -177.236 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.79 161.4 24.52 Favored Glycine 0 N--CA 1.475 1.255 0 C-N-CA 125.208 1.385 . . . . 0.0 113.397 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -117.86 -10.87 10.38 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.583 1.553 . . . . 0.0 113.548 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.41 -169.35 40.42 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.694 1.616 . . . . 0.0 113.261 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.13 130.17 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 127.803 2.62 . . . . 0.0 111.158 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.35 -153.3 28.55 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.029 1.3 . . . . 0.0 113.272 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? 69.16 13.18 8.63 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.417 1.887 . . . . 0.0 114.61 170.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.79 172.43 32.52 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.889 1.709 . . . . 0.0 113.796 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.951 2.1 . . . . 0.0 110.84 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -80.3 128.69 33.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.99 0.916 . . . . 0.0 111.943 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -136.9 16.26 3.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.647 1.179 . . . . 0.0 113.159 -174.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.99 -118.32 5.36 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.863 1.22 . . . . 0.0 111.453 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -60.64 146.4 45.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.938 1.295 . . . . 0.0 113.52 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.86 96.35 3.68 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.349 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.35 -37.65 4.76 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.197 1.379 . . . . 0.0 113.003 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -54.59 -40.1 68.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.843 1.257 . . . . 0.0 112.489 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.81 -19.09 62.04 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.983 0.913 . . . . 0.0 113.458 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.19 -34.45 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.482 0.713 . . . . 0.0 110.776 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.99 -40.07 83.74 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.761 -0.587 . . . . 0.0 110.485 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.78 -44.23 77.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.235 0.614 . . . . 0.0 111.546 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -65.24 -40.54 94.17 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.97 0.805 . . . . 0.0 111.926 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.53 -30.35 70.64 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 112.862 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 32.2 m -73.1 -46.44 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.53 1.132 . . . . 0.0 110.645 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.4 tp -57.85 -38.59 75.94 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 112.909 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.55 -23.37 64.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.561 0.745 . . . . 0.0 112.905 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -83.44 -25.02 31.6 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 120.958 -1.089 . . . . 0.0 113.203 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.92 -22.02 65.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.136 . . . . 0.0 112.237 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -73.8 -20.79 60.36 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.367 -0.833 . . . . 0.0 112.895 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.71 6.54 8.67 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.924 0.89 . . . . 0.0 112.704 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -117.19 1.53 12.5 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.397 1.879 . . . . 0.0 112.99 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -126.55 83.66 2.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.003 2.121 . . . . 0.0 109.115 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.3 t -84.3 -5.68 59.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.754 1.222 . . . . 0.0 113.872 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.9 -12.39 60.52 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.535 1.54 . . . . 0.0 113.666 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 59.77 25.99 15.08 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.482 1.913 . . . . 0.0 113.022 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -71.6 -34.46 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.447 1.499 . . . . 0.0 112.122 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -108.47 -18.6 13.7 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.024 1.33 . . . . 0.0 112.22 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -54.38 -24.08 18.23 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.139 1.376 . . . . 0.0 114.112 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.15 152.73 80.69 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.864 1.666 . . . . 0.0 112.406 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.5 149.78 62.68 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 125.01 3.806 . . . . 0.0 113.312 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.23 125.1 91.17 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 124.399 1.08 . . . . 0.0 109.876 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 124.53 7.56 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 0.0 111.745 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.92 -16.94 62.12 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 27.9 m -68.63 -27.33 65.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.879 0.872 . . . . 0.0 112.559 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -94.04 -34.0 13.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.28 1.032 . . . . 0.0 112.017 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.16 81.2 69.19 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 110.098 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.01 -14.56 16.87 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.227 2.618 . . . . 0.0 112.988 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -98.82 11.9 37.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.676 1.59 . . . . 0.0 112.918 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -56.81 -38.24 72.31 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.864 -1.147 . . . . 0.0 112.512 -175.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.52 -20.18 54.65 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.272 1.429 . . . . 0.0 113.231 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.72 -25.13 41.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.6 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -99.58 -29.59 12.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.131 0.972 . . . . 0.0 113.424 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 121.28 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.821 1.248 . . . . 0.0 111.133 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -75.14 -31.16 60.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.92 1.288 . . . . 0.0 114.106 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -141.05 73.49 26.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.035 1.734 . . . . 0.0 111.225 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.46 135.65 16.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.721 2.947 . . . . 0.0 111.483 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.9 tpt -148.4 157.68 43.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.393 1.077 . . . . 0.0 113.507 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -151.74 166.38 31.52 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 112.025 -174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.19 -30.27 70.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.56 -39.55 84.95 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.794 0.724 . . . . 0.0 110.729 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -34.78 76.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.399 1.08 . . . . 0.0 111.464 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 61.6 mmm -57.16 -55.01 40.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.895 0.878 . . . . 0.0 110.617 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.85 -42.54 98.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 112.68 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -61.7 -48.38 81.05 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.498 1.119 . . . . 0.0 111.77 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.61 -35.14 79.94 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.42 -43.65 66.36 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.403 -0.811 . . . . 0.0 111.853 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.58 -10.28 59.6 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.818 0.847 . . . . 0.0 113.027 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.38 1.46 49.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.733 1.613 . . . . 0.0 113.343 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 64.4 41.87 5.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.732 1.613 . . . . 0.0 112.652 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -93.91 -13.47 27.1 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.367 1.067 . . . . 0.0 113.763 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -92.39 -67.69 0.84 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.036 0.935 . . . . 0.0 113.005 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 2.71 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.751 2.421 . . . . 0.0 115.693 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -153.51 139.3 18.01 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.637 1.975 . . . . 0.0 108.838 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.64 -27.29 69.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.031 0.533 . . . . 0.0 111.206 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -65.44 -26.6 68.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 113.26 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -89.91 -37.62 14.27 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.272 1.029 . . . . 0.0 111.655 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -63.51 -39.42 94.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.388 1.075 . . . . 0.0 112.336 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.18 -40.01 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.547 1.139 . . . . 0.0 111.895 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.07 -31.75 70.73 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.211 -0.93 . . . . 0.0 113.299 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.56 -26.29 59.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.684 -0.635 . . . . 0.0 112.638 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.07 -41.61 73.92 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.109 -0.994 . . . . 0.0 110.741 169.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -58.92 -29.78 67.35 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.255 0.622 . . . . 0.0 112.185 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.48 -45.55 90.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.011 0.925 . . . . 0.0 111.721 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.33 -47.17 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.546 1.139 . . . . 0.0 110.975 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.03 -50.43 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.225 1.01 . . . . 0.0 110.352 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.3 t -58.43 -39.29 79.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.995 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -59.55 -29.65 68.07 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.027 -1.045 . . . . 0.0 113.559 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 17.8 t -79.9 -42.78 23.46 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.761 0.71 . . . . 0.0 111.67 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.62 -20.36 64.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.008 0.923 . . . . 0.0 112.324 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -89.21 -19.06 25.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -149.75 69.44 1.03 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.039 1.335 . . . . 0.0 112.956 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.68 152.88 5.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.173 1.789 . . . . 0.0 110.508 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.9 32.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.909 0.862 . . . . 0.0 112.666 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 6.07 1.64 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 117.245 2.313 . . . . 0.0 117.245 -169.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.21 16.95 1.07 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.751 1.22 . . . . 0.0 114.139 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.5 p -94.0 162.81 13.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.575 1.15 . . . . 0.0 112.941 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.47 -42.74 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.368 1.067 . . . . 0.0 111.054 169.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -67.05 -43.98 81.32 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.78 1.232 . . . . 0.0 111.842 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.24 -44.3 95.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.117 0.567 . . . . 0.0 110.799 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.1 -35.79 82.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.174 0.99 . . . . 0.0 113.228 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.9 72.72 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.454 1.024 . . . . 0.0 112.539 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.65 75.78 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.693 -0.63 . . . . 0.0 112.593 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.55 -41.77 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 0.0 110.602 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.479 0.712 . . . . 0.0 111.534 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.14 -46.02 92.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.057 0.943 . . . . 0.0 112.639 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -59.71 -31.31 69.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.445 1.098 . . . . 0.0 113.339 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -89.0 -65.6 1.0 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.768 1.227 . . . . 0.0 111.679 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -69.75 -47.01 64.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.619 0.768 . . . . 0.0 112.538 -169.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.52 -13.03 79.33 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.64 0.654 . . . . 0.0 113.282 176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.0 -33.02 86.12 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 118.167 0.984 . . . . 0.0 110.646 169.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.68 81.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.916 0.886 . . . . 0.0 112.08 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.0 -39.87 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.892 0.877 . . . . 0.0 111.746 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.08 -40.16 82.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.491 0.716 . . . . 0.0 111.386 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -68.24 -45.14 74.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.091 0.956 . . . . 0.0 113.205 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.22 -35.24 77.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.282 1.033 . . . . 0.0 112.067 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.58 -25.13 22.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.742 0.817 . . . . 0.0 112.666 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -61.15 -27.5 68.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.719 1.208 . . . . 0.0 112.394 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -64.01 -22.3 66.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -70.59 -26.03 63.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.15 15.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.424 1.09 . . . . 0.0 112.122 171.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -66.14 -34.15 77.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -26.52 68.59 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -102.97 -17.92 15.24 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.211 1.405 . . . . 0.0 114.17 176.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.92 -6.38 82.42 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.131 1.348 . . . . 0.0 113.997 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 22.4 t -67.42 134.43 51.4 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.753 1.221 . . . . 0.0 112.545 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -115.2 -170.59 16.33 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.725 1.631 . . . . 0.0 113.858 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -81.25 4.06 7.3 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.529 3.486 . . . . 0.0 114.344 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 65.0 m -124.64 149.24 47.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.881 1.672 . . . . 0.0 111.869 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 28.7 m 65.58 33.05 8.84 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.459 1.504 . . . . 0.0 113.865 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 C-N-CA 125.849 1.69 . . . . 0.0 112.967 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.12 -128.23 28.09 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.067 0.841 . . . . 0.0 112.09 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 72.64 173.53 0.3 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.463 1.905 . . . . 0.0 114.014 172.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.37 164.81 54.36 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.27 1.414 . . . . 0.0 113.348 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.05 159.62 31.69 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.807 1.194 . . . . 0.0 113.768 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.94 -137.77 9.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 125.678 1.609 . . . . 0.0 112.764 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 147.52 52.28 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.633 1.573 . . . . 0.0 111.692 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.59 177.32 34.57 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.095 1.331 . . . . 0.0 114.125 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 128.192 2.597 . . . . 0.0 112.233 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -158.69 135.37 9.52 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.827 1.251 . . . . 0.0 110.782 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.6 t -167.63 141.45 3.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.282 1.433 . . . . 0.0 111.516 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.33 1.29 69.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.924 1.25 . . . . 0.0 113.914 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -85.4 -10.13 56.65 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.495 1.148 . . . . 0.0 113.664 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -82.88 73.74 9.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.494 -1.379 . . . . 0.0 112.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.7 -35.67 62.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.039 1.304 . . . . 0.0 113.33 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -58.32 -39.88 80.57 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.129 0.965 . . . . 0.0 112.348 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.19 -20.19 64.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.939 0.896 . . . . 0.0 112.922 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.6 -37.8 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.896 0.878 . . . . 0.0 111.14 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 64.9 mt -52.86 -39.6 62.73 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.091 0.957 . . . . 0.0 111.798 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.85 -27.9 65.22 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.52 0.728 . . . . 0.0 111.535 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -69.74 -48.66 58.62 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.743 0.817 . . . . 0.0 110.028 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -34.85 76.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.489 1.116 . . . . 0.0 112.107 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -76.52 -48.01 20.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.477 1.111 . . . . 0.0 111.389 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.94 -39.92 79.24 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.669 1.122 . . . . 0.0 112.663 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.13 -27.51 65.63 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -74.88 -31.75 61.68 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.526 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.53 -31.88 73.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.302 0.956 . . . . 0.0 112.191 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -71.82 -22.38 61.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.957 0.799 . . . . 0.0 112.906 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.092 0.86 . . . . 0.0 112.697 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.14 -9.12 56.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.374 1.07 . . . . 0.0 113.872 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -108.85 79.79 1.26 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.971 1.708 . . . . 0.0 110.059 171.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -84.49 -5.67 59.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.628 1.171 . . . . 0.0 113.957 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.07 -10.49 64.37 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.481 1.515 . . . . 0.0 113.772 169.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.46 24.73 14.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.663 1.985 . . . . 0.0 113.143 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.71 -35.64 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.321 1.449 . . . . 0.0 112.111 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -110.03 -20.79 12.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 112.225 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -60.47 -19.64 57.3 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.833 1.253 . . . . 0.0 113.701 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -125.62 153.09 72.82 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.787 1.635 . . . . 0.0 111.77 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.47 144.53 61.53 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 124.56 3.506 . . . . 0.0 112.341 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -61.12 126.53 86.24 Favored Pre-proline 0 N--CA 1.482 1.127 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.574 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.74 111.08 3.21 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.507 2.805 . . . . 0.0 111.051 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.27 -19.95 61.61 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -26.35 68.5 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.258 1.023 . . . . 0.0 113.042 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.97 1.67 14.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.044 1.338 . . . . 0.0 114.027 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 t -143.4 75.4 16.78 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.494 1.518 . . . . 0.0 110.102 172.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.15 -10.29 16.45 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.144 2.563 . . . . 0.0 113.471 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.82 5.31 38.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.717 1.207 . . . . 0.0 113.018 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.83 -44.28 81.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.497 1.119 . . . . 0.0 112.257 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.78 -19.9 60.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.362 1.465 . . . . 0.0 113.235 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.85 -20.53 35.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.438 1.095 . . . . 0.0 112.712 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -104.29 -36.48 7.6 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 113.37 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.2 119.2 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.428 1.091 . . . . 0.0 110.18 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -75.67 -28.21 58.61 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -139.9 81.2 19.46 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.9 1.68 . . . . 0.0 109.564 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -81.72 138.55 10.66 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.465 2.776 . . . . 0.0 111.186 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.0 ttt -163.12 154.09 16.85 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -170.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -146.54 172.67 13.21 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.406 2.282 . . . . 0.0 110.573 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -57.48 -29.92 64.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.79 -40.86 96.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.083 0.553 . . . . 0.0 111.38 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 27.2 m -67.68 -39.21 84.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.713 1.205 . . . . 0.0 111.296 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.0 mtp -59.95 -51.82 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.217 0.462 . . . . 0.0 111.495 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -55.19 -46.18 75.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.604 1.162 . . . . 0.0 112.887 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -63.77 -46.13 86.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.095 0.958 . . . . 0.0 112.129 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.4 -40.61 97.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.271 0.628 . . . . 0.0 112.15 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.97 -41.13 82.86 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.007 -1.058 . . . . 0.0 111.863 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.2 -10.21 52.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.358 1.063 . . . . 0.0 113.52 173.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.47 7.44 37.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.721 1.608 . . . . 0.0 113.047 171.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 64.66 27.92 13.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.558 1.943 . . . . 0.0 113.647 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -74.57 -13.35 60.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.298 . . . . 0.0 113.68 -171.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -104.2 105.1 15.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.359 1.464 . . . . 0.0 111.522 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.63 -6.51 27.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.887 1.275 . . . . 0.0 113.479 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -150.64 157.94 43.57 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.746 1.218 . . . . 0.0 110.8 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -67.94 -22.55 65.04 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.18 -47.87 83.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.617 1.167 . . . . 0.0 112.467 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -74.66 -31.95 62.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.495 0.718 . . . . 0.0 112.291 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.52 -40.07 85.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.546 1.138 . . . . 0.0 111.79 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.37 -42.0 75.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.562 1.145 . . . . 0.0 111.491 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.65 -33.48 75.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.987 0.915 . . . . 0.0 113.311 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -73.56 -22.02 60.19 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.03 -43.45 62.03 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.087 -1.008 . . . . 0.0 109.588 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -58.56 -32.98 69.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.384 0.673 . . . . 0.0 111.989 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.86 -44.8 96.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.863 0.865 . . . . 0.0 111.934 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.05 -41.24 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.357 1.063 . . . . 0.0 111.305 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.61 -56.13 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.423 0.689 . . . . 0.0 110.483 172.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -65.76 -29.17 69.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.95 70.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.932 1.693 . . . . 0.0 111.562 170.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 47.8 t -80.47 -42.98 21.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.163 0.585 . . . . 0.0 111.678 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.87 -22.01 66.72 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.748 0.819 . . . . 0.0 112.073 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -78.74 -51.58 9.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.554 1.142 . . . . 0.0 112.993 169.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -103.66 63.0 0.77 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.394 1.077 . . . . 0.0 113.067 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.1 160.76 10.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.584 1.154 . . . . 0.0 112.721 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.7 172.97 11.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.015 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -89.15 7.04 37.24 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -138.39 30.95 2.37 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.858 1.663 . . . . 0.0 112.606 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 71.7 p -121.98 162.33 21.3 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.576 1.551 . . . . 0.0 112.691 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.16 -44.27 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.784 1.234 . . . . 0.0 112.233 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -67.46 -42.01 83.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.046 0.939 . . . . 0.0 112.523 -169.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -59.16 -45.83 89.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.355 0.662 . . . . 0.0 111.125 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.83 0.852 . . . . 0.0 113.169 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.76 78.02 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.452 1.024 . . . . 0.0 112.13 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.66 76.11 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.603 -0.686 . . . . 0.0 112.597 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.19 -39.81 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.213 0.605 . . . . 0.0 110.918 170.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.35 -37.09 85.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.482 0.713 . . . . 0.0 112.168 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.06 -46.5 77.56 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.086 0.954 . . . . 0.0 111.973 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -58.08 -33.04 68.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.307 1.043 . . . . 0.0 113.144 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.15 -67.21 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.888 1.275 . . . . 0.0 111.536 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.39 -45.64 68.79 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -169.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.07 -13.76 78.5 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.645 0.657 . . . . 0.0 113.242 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.26 89.44 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 169.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.61 -40.76 84.69 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.665 0.786 . . . . 0.0 111.747 169.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.25 -38.27 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.22 1.008 . . . . 0.0 111.911 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.69 -40.42 76.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.293 0.637 . . . . 0.0 111.459 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -72.47 -41.18 66.32 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.06 -34.19 77.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.624 0.77 . . . . 0.0 112.057 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.53 -27.4 20.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.939 0.896 . . . . 0.0 112.236 -170.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -58.58 -30.84 67.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.381 1.073 . . . . 0.0 111.563 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.38 -24.71 66.68 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.61 -19.79 60.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 112.746 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.56 -37.22 12.01 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.248 1.419 . . . . 0.0 112.822 171.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.09 -33.23 75.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.797 0.839 . . . . 0.0 112.948 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -23.58 67.36 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.2 mtt -66.0 -25.56 67.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.553 1.141 . . . . 0.0 112.613 173.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -105.26 16.21 45.8 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.5 2.0 . . . . 0.0 115.171 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 94.1 p -141.58 156.7 45.68 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.708 1.254 . . . . 0.0 113.521 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -96.55 -174.67 35.48 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.315 1.436 . . . . 0.0 113.922 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -72.39 163.13 39.55 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.251 3.301 . . . . 0.0 111.871 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 73.7 m -141.27 141.36 33.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.108 1.363 . . . . 0.0 111.345 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 40.6 m -136.5 19.28 3.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.647 1.179 . . . . 0.0 113.468 -170.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 C-N-CA 125.4 1.476 . . . . 0.0 112.586 -177.677 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.301 0.096 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.51 147.79 24.53 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.261 0.934 . . . . 0.0 112.649 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.83 141.51 8.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.85 1.66 . . . . 0.0 111.099 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.01 -23.85 11.08 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.524 1.059 . . . . 0.0 114.543 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.67 161.17 14.08 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.555 2.979 . . . . 0.0 112.02 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.86 -106.36 0.39 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 125.042 1.306 . . . . 0.0 111.192 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt 59.78 75.47 0.4 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.836 1.654 . . . . 0.0 113.006 172.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.83 113.96 4.6 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.216 0.912 . . . . 0.0 111.056 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.684 1.994 . . . . 0.0 110.527 -173.232 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t 71.57 -58.89 0.57 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.642 2.377 . . . . 0.0 113.449 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m 63.23 15.54 8.68 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.157 1.783 . . . . 0.0 114.757 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.0 -7.44 85.47 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 116.486 1.354 . . . . 0.0 116.486 -169.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 14.3 t -159.92 144.75 14.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.229 1.514 . . . . 0.0 111.968 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -168.02 104.29 0.47 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.512 1.525 . . . . 0.0 111.461 -172.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.47 -40.47 2.97 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.382 0.991 . . . . 0.0 113.114 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.55 -36.3 73.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.833 1.253 . . . . 0.0 112.654 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.35 -20.69 62.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.96 0.904 . . . . 0.0 113.129 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.8 -32.91 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.166 0.987 . . . . 0.0 110.601 171.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.25 -44.11 92.8 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.701 -0.624 . . . . 0.0 110.605 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.57 -45.54 65.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.56 0.344 . . . . 0.0 111.533 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -62.81 -28.77 70.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.35 -46.33 20.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.882 0.873 . . . . 0.0 112.38 171.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -62.42 -40.58 97.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.915 1.286 . . . . 0.0 111.862 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.77 -34.39 69.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -70.42 -28.18 64.85 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.251 0.62 . . . . 0.0 112.01 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -75.45 -30.11 59.87 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.671 0.788 . . . . 0.0 111.593 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.03 -27.41 67.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.998 0.817 . . . . 0.0 112.65 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.34 -22.61 59.15 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.034 0.833 . . . . 0.0 112.696 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.87 -18.83 62.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.977 0.808 . . . . 0.0 112.502 170.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.83 1.31 54.28 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.973 1.309 . . . . 0.0 113.572 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -123.03 79.2 1.63 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.362 1.865 . . . . 0.0 109.753 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.8 t -82.45 -6.23 59.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.87 1.268 . . . . 0.0 113.843 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.04 -12.42 61.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.515 1.531 . . . . 0.0 113.693 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 60.01 28.33 17.85 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.29 1.836 . . . . 0.0 112.978 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.8 mt -76.31 -30.94 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.907 1.683 . . . . 0.0 111.779 -174.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -113.94 -13.74 12.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.995 1.718 . . . . 0.0 112.755 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -60.87 -18.88 58.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.167 1.387 . . . . 0.0 113.861 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -133.83 158.11 76.24 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 112.082 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.75 152.1 74.23 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.624 3.549 . . . . 0.0 111.984 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -67.15 129.6 93.85 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 110.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.55 112.59 3.26 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.34 2.693 . . . . 0.0 110.819 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.11 -24.23 63.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.234 0.613 . . . . 0.0 112.307 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -62.46 -17.81 60.33 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.956 1.303 . . . . 0.0 113.931 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.65 4.47 10.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.211 1.405 . . . . 0.0 113.926 171.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 t -149.55 77.41 8.78 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.677 1.591 . . . . 0.0 108.964 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.28 -11.75 14.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.067 2.511 . . . . 0.0 113.365 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.94 2.85 49.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.38 1.072 . . . . 0.0 112.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.77 -40.99 73.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.539 1.135 . . . . 0.0 112.434 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.21 -21.66 58.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.086 1.354 . . . . 0.0 113.367 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -84.74 -24.25 28.92 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.514 1.125 . . . . 0.0 112.533 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -97.53 -37.74 9.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.405 1.082 . . . . 0.0 112.665 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.7 118.44 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.525 1.13 . . . . 0.0 109.971 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.41 -27.97 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.222 1.009 . . . . 0.0 113.616 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -137.96 83.81 22.56 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.261 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.37 123.66 7.26 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.989 1.793 . . . . 0.0 109.356 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.56 164.51 38.11 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -169.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -168.33 174.54 6.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.012 1.725 . . . . 0.0 112.69 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.87 -25.32 68.11 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -70.44 -37.77 74.41 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.907 1.23 . . . . 0.0 110.924 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.6 m -69.51 -36.51 76.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.362 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.04 -54.43 43.12 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.944 0.793 . . . . 0.0 110.155 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -56.17 -46.38 79.35 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 113.0 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.58 -44.66 89.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.839 0.856 . . . . 0.0 112.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -66.81 -30.52 70.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -77.38 -39.29 47.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.379 1.072 . . . . 0.0 112.183 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.94 -15.96 63.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.354 1.062 . . . . 0.0 112.992 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.01 -7.34 22.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.715 1.606 . . . . 0.0 113.461 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 71.92 51.84 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.176 2.191 . . . . 0.0 112.188 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -15.15 39.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.852 1.261 . . . . 0.0 114.211 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -83.38 -78.22 0.23 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.904 0.882 . . . . 0.0 113.369 -170.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 67.29 -0.68 1.73 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.03 2.532 . . . . 0.0 115.287 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -148.22 138.89 22.95 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 126.581 1.952 . . . . 0.0 108.896 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -66.71 -24.76 66.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.219 0.608 . . . . 0.0 111.529 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.53 -39.92 85.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.979 0.912 . . . . 0.0 112.068 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -75.51 -38.13 59.65 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.235 1.014 . . . . 0.0 112.167 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.28 -37.7 87.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 111.936 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.37 -40.86 66.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.937 1.295 . . . . 0.0 111.742 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.12 -32.55 70.63 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.065 -1.022 . . . . 0.0 113.693 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -74.49 -30.79 61.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.514 -0.741 . . . . 0.0 111.784 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.0 -43.56 98.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.849 -1.157 . . . . 0.0 111.01 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -58.4 -32.25 68.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.541 0.736 . . . . 0.0 112.457 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.3 -39.94 94.93 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.126 0.971 . . . . 0.0 112.323 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.9 mt -69.62 -39.48 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.844 1.257 . . . . 0.0 111.061 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.36 -52.35 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.287 0.635 . . . . 0.0 109.751 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -59.8 -34.14 72.65 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.598 1.159 . . . . 0.0 113.75 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -34.82 62.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.768 1.227 . . . . 0.0 113.164 174.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.6 t -79.51 -49.95 11.49 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.355 0.525 . . . . 0.0 110.784 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.47 -24.93 49.16 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.046 1.339 . . . . 0.0 112.657 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -91.74 -18.57 23.72 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.545 1.938 . . . . 0.0 114.445 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -136.02 75.45 1.55 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.561 1.544 . . . . 0.0 111.953 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -160.49 -167.88 2.0 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.392 1.477 . . . . 0.0 112.812 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -138.63 162.77 33.8 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.995 1.718 . . . . 0.0 110.196 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -68.35 2.22 2.44 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.81 9.45 3.07 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.156 1.382 . . . . 0.0 114.059 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.6 p -89.22 158.22 17.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.843 0.857 . . . . 0.0 112.628 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -61.33 -40.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.337 1.055 . . . . 0.0 111.637 169.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -67.71 -36.8 81.28 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.709 1.204 . . . . 0.0 112.749 -172.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -56.59 -54.81 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.159 0.983 . . . . 0.0 110.979 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.79 -29.01 68.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.13 0.972 . . . . 0.0 112.96 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.25 86.92 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.414 1.006 . . . . 0.0 112.631 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.22 73.18 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.49 -0.756 . . . . 0.0 112.221 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.2 -37.73 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.309 0.644 . . . . 0.0 111.053 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -60.17 -44.77 94.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.884 0.874 . . . . 0.0 111.92 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.71 -45.65 93.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.914 0.886 . . . . 0.0 112.2 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -58.15 -31.0 66.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.898 0.879 . . . . 0.0 113.139 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.1 -64.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.823 1.249 . . . . 0.0 111.724 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.22 -40.51 71.07 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.75 -8.15 87.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.63 0.65 . . . . 0.0 113.07 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.13 94.32 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.338 1.069 . . . . 0.0 110.68 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.41 90.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.607 0.763 . . . . 0.0 112.055 170.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.21 -39.72 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.733 0.813 . . . . 0.0 111.182 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.4 -36.04 76.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.567 0.747 . . . . 0.0 111.478 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -68.33 -52.48 33.0 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.387 0.994 . . . . 0.0 113.445 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -61.86 -36.41 81.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.21 1.004 . . . . 0.0 111.708 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.84 -28.37 24.48 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.049 0.939 . . . . 0.0 111.787 -170.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.72 -32.42 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 111.623 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -64.96 -24.63 67.58 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.168 -0.957 . . . . 0.0 113.467 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -71.1 -23.82 62.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.98 0.912 . . . . 0.0 112.492 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -43.33 12.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 111.912 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -65.75 -34.34 77.96 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -27.4 69.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -103.93 -14.02 16.13 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.261 1.424 . . . . 0.0 113.569 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.55 14.76 64.7 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.434 1.968 . . . . 0.0 114.088 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 44.3 m -126.07 149.25 49.02 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.566 1.546 . . . . 0.0 111.569 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 72.93 -150.72 44.76 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 123.859 0.742 . . . . 0.0 112.48 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -82.92 0.74 9.5 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.168 3.245 . . . . 0.0 114.053 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 20.2 m 64.91 12.46 7.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.373 1.869 . . . . 0.0 114.291 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 18.1 t -72.75 129.4 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.738 -1.226 . . . . 0.0 112.29 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 125.36 1.457 . . . . 0.0 113.032 179.214 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.336 0.113 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.67 178.02 43.32 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.711 1.148 . . . . 0.0 113.9 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -130.48 127.7 39.73 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.589 1.556 . . . . 0.0 110.074 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 -33.22 11.37 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.578 1.085 . . . . 0.0 113.887 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.82 165.71 28.58 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.28 1.895 . . . . 0.0 113.113 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 135.55 25.19 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.905 0.764 . . . . 0.0 111.42 178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -97.6 13.38 30.31 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.84 121.84 24.53 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.341 0.972 . . . . 0.0 111.852 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.605 1.962 . . . . 0.0 110.295 -171.627 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -166.3 -40.94 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.285 1.434 . . . . 0.0 111.735 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.1 p -123.46 160.8 26.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.938 1.695 . . . . 0.0 111.446 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.82 170.75 40.03 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.249 0.928 . . . . 0.0 113.918 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.5 m -79.93 -8.6 59.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -111.89 -76.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.669 1.187 . . . . 0.0 112.147 -176.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.97 -63.95 1.59 Allowed Glycine 0 C--N 1.339 0.731 0 C-N-CA 126.871 2.177 . . . . 0.0 111.469 -173.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -58.32 -47.51 83.5 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.762 1.225 . . . . 0.0 112.362 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -23.15 67.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.37 1.068 . . . . 0.0 112.865 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mt -80.14 -37.89 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.02 1.328 . . . . 0.0 110.873 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.68 -42.49 75.24 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.718 0.807 . . . . 0.0 110.617 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.55 -32.95 72.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.955 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -59.55 -52.72 64.33 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.147 0.885 . . . . 0.0 110.372 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.71 -35.31 80.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.49 1.116 . . . . 0.0 113.03 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 m -72.92 -47.88 41.87 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.771 1.229 . . . . 0.0 111.072 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.92 -39.44 77.98 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.32 -22.14 64.72 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -82.88 -28.73 29.81 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.321 0.964 . . . . 0.0 112.236 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.59 -31.6 72.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.016 1.28 . . . . 0.0 111.466 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -69.71 -23.13 63.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.479 0.712 . . . . 0.0 112.768 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.26 -18.51 60.07 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.131 0.878 . . . . 0.0 112.575 172.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.02 6.76 38.19 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.028 1.331 . . . . 0.0 113.736 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -121.9 79.47 1.58 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.791 1.637 . . . . 0.0 109.929 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 70.5 p -83.25 -5.74 59.23 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.431 1.492 . . . . 0.0 114.197 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -12.7 58.1 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.138 1.828 . . . . 0.0 113.959 169.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.4 28.22 17.85 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 112.968 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -76.45 -28.94 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.75 1.62 . . . . 0.0 111.89 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -115.7 -17.18 11.16 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.107 1.763 . . . . 0.0 112.515 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -58.58 -23.77 59.37 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.173 1.389 . . . . 0.0 113.908 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -130.74 152.51 80.63 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.742 1.617 . . . . 0.0 111.656 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.88 146.35 71.56 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.657 3.572 . . . . 0.0 112.826 -174.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.4 124.07 84.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 0.0 109.979 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -75.13 118.03 5.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.24 2.627 . . . . 0.0 111.449 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.15 -17.38 62.55 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.68 0.792 . . . . 0.0 112.778 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -68.06 -27.35 66.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 112.581 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -94.44 -32.61 13.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.379 1.072 . . . . 0.0 112.046 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.8 t -132.87 80.09 61.78 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.024 1.33 . . . . 0.0 110.318 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.31 -14.49 16.41 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.345 2.697 . . . . 0.0 113.443 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.34 4.09 50.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.623 1.169 . . . . 0.0 113.007 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -55.39 -43.38 75.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.113 0.965 . . . . 0.0 112.203 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -76.09 -20.47 57.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.876 1.271 . . . . 0.0 113.432 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.8 -27.79 40.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.08 0.952 . . . . 0.0 112.474 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -94.03 -35.22 12.7 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.29 1.036 . . . . 0.0 113.024 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mm -101.52 113.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.774 1.23 . . . . 0.0 110.35 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.88 -24.66 61.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -149.25 77.94 8.82 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 126.214 1.806 . . . . 0.0 111.58 -174.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.26 152.02 30.42 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.277 3.318 . . . . 0.0 112.184 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -163.45 156.86 19.13 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.763 1.625 . . . . 0.0 112.499 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -151.7 170.55 19.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.815 2.446 . . . . 0.0 110.557 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.38 -23.25 66.71 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.17 -44.91 82.67 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.973 0.806 . . . . 0.0 110.984 172.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 32.5 m -65.34 -39.31 92.23 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.224 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 77.3 mmm -54.15 -54.51 38.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.929 0.892 . . . . 0.0 111.262 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -58.74 -43.47 90.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.733 0.813 . . . . 0.0 112.927 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.5 -44.31 94.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.035 0.834 . . . . 0.0 112.206 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.02 -37.71 85.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.426 0.69 . . . . 0.0 111.876 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.93 69.08 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.796 -1.19 . . . . 0.0 112.139 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.14 -11.94 60.03 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.554 1.142 . . . . 0.0 113.243 174.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 9.72 36.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.115 1.766 . . . . 0.0 113.05 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 63.34 23.77 13.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.101 1.76 . . . . 0.0 113.911 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.6 -24.0 65.44 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 112.952 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -91.84 103.0 15.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.797 1.239 . . . . 0.0 111.785 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.98 -11.98 21.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.301 1.441 . . . . 0.0 113.047 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.64 146.89 31.5 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.395 1.878 . . . . 0.0 110.137 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.6 -26.65 65.48 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.53 -43.84 80.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.64 1.176 . . . . 0.0 112.645 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -72.29 -36.85 69.05 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.686 0.794 . . . . 0.0 112.36 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.96 -36.13 81.51 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.014 0.926 . . . . 0.0 111.779 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.67 -41.69 59.83 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.709 1.204 . . . . 0.0 111.841 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -66.85 -33.55 75.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.074 -1.016 . . . . 0.0 113.055 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -74.31 -25.59 59.65 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.651 -0.655 . . . . 0.0 112.387 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.5 -43.22 70.13 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.95 -1.094 . . . . 0.0 110.296 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -58.12 -31.09 66.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.208 0.603 . . . . 0.0 112.158 172.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.2 -44.04 93.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.879 0.872 . . . . 0.0 111.877 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.26 -47.05 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.122 0.969 . . . . 0.0 110.848 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.17 -52.18 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.989 0.916 . . . . 0.0 110.53 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t -58.79 -45.07 90.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.592 0.757 . . . . 0.0 112.383 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.61 -24.53 67.08 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.193 -0.942 . . . . 0.0 113.471 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -72.42 -50.46 26.18 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.091 0.556 . . . . 0.0 110.987 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.92 -27.95 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 112.213 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -77.76 -13.54 59.86 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.861 1.664 . . . . 0.0 114.833 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -131.85 49.52 2.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.571 1.548 . . . . 0.0 112.649 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -152.07 154.2 35.46 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.041 1.336 . . . . 0.0 111.185 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.32 166.76 21.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.059 0.944 . . . . 0.0 111.342 170.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.52 4.45 3.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -140.79 16.18 2.32 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.644 1.578 . . . . 0.0 115.181 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.8 p -94.2 159.62 15.06 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.126 0.97 . . . . 0.0 112.382 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.72 -38.78 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.416 1.087 . . . . 0.0 112.198 171.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.87 -33.8 70.97 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.971 0.909 . . . . 0.0 112.932 -172.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.78 -46.8 88.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.8 0.44 . . . . 0.0 110.663 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.89 -30.08 66.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.168 0.987 . . . . 0.0 113.264 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.21 74.45 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.366 0.985 . . . . 0.0 112.71 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.82 -33.78 64.3 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.24 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.339 0.656 . . . . 0.0 110.674 171.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -42.29 97.63 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.351 0.66 . . . . 0.0 111.735 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.01 -45.7 91.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.954 0.797 . . . . 0.0 112.432 171.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -58.02 -32.5 68.01 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.254 1.021 . . . . 0.0 113.116 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -85.69 -66.31 0.91 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.881 1.273 . . . . 0.0 111.633 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -70.04 -47.34 62.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.09 -14.24 77.46 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 118.501 0.591 . . . . 0.0 113.105 176.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.66 90.52 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-N 118.186 0.993 . . . . 0.0 110.832 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.86 88.33 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.601 0.76 . . . . 0.0 112.15 169.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.08 -34.41 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.273 1.029 . . . . 0.0 111.836 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 75.8 mt -74.29 -40.32 62.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.794 0.837 . . . . 0.0 111.565 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.51 -37.06 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.561 1.144 . . . . 0.0 113.26 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.12 -35.86 66.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.49 1.116 . . . . 0.0 112.42 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.41 25.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.559 0.744 . . . . 0.0 112.927 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -54.61 -35.04 62.97 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.523 1.529 . . . . 0.0 112.034 169.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -68.13 -22.32 64.88 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -73.1 -20.09 61.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.026 0.931 . . . . 0.0 112.641 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.4 -40.19 12.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.953 0.901 . . . . 0.0 112.449 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.56 -28.96 66.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -24.23 67.07 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 2.5 mtm -67.56 -22.32 65.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.24 1.016 . . . . 0.0 112.742 171.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.95 4.43 61.04 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 126.34 1.924 . . . . 0.0 115.109 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 74.5 m -63.86 144.32 57.15 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.493 1.147 . . . . 0.0 112.994 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -78.64 172.78 55.3 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.417 1.008 . . . . 0.0 113.753 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.22 157.46 53.73 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 124.09 3.194 . . . . 0.0 111.91 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 85.4 p -161.88 161.29 28.81 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.254 1.422 . . . . 0.0 112.034 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 71.2 m -144.08 129.88 19.31 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.834 1.253 . . . . 0.0 111.028 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.24 0 C-N-CA 125.085 1.326 . . . . 0.0 112.953 178.368 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.461 0.172 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.44 125.38 1.75 Allowed Glycine 0 N--CA 1.469 0.851 0 C-N-CA 124.377 0.989 . . . . 0.0 112.899 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -165.34 160.42 18.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.439 1.896 . . . . 0.0 111.117 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -32.81 8.35 Favored Glycine 0 N--CA 1.469 0.887 0 C-N-CA 124.31 0.957 . . . . 0.0 114.084 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.34 111.08 1.36 Allowed Glycine 0 N--CA 1.466 0.696 0 C-N-CA 128.491 2.948 . . . . 0.0 111.857 169.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.91 -131.91 40.0 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.823 1.202 . . . . 0.0 111.799 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 150.92 23.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.658 1.583 . . . . 0.0 112.247 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.17 -177.39 51.84 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.994 1.283 . . . . 0.0 113.916 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.527 1.531 . . . . 0.0 111.182 175.292 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -145.78 146.63 31.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 111.388 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -147.74 158.2 43.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.322 1.449 . . . . 0.0 111.464 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.39 -169.7 44.09 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.398 0.999 . . . . 0.0 113.112 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -74.34 157.61 35.44 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.433 0.693 . . . . 0.0 112.354 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 m -145.99 157.9 43.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.881 1.672 . . . . 0.0 110.969 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.32 92.24 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 112.856 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.67 -43.02 99.86 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.412 1.085 . . . . 0.0 112.614 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.03 -34.17 77.8 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.888 0.875 . . . . 0.0 111.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 56.0 mt -67.77 -32.47 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.188 0.995 . . . . 0.0 112.137 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.98 -41.29 78.1 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.242 0.928 . . . . 0.0 110.936 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.77 -36.08 75.45 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.904 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -58.33 -48.1 81.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.51 0.724 . . . . 0.0 110.925 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -74.26 -19.55 60.46 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -86.35 -42.31 13.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.497 1.119 . . . . 0.0 111.117 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.62 -41.66 77.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.9 -27.92 69.18 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.698 -0.626 . . . . 0.0 112.685 175.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -78.07 -13.84 59.72 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.727 0.811 . . . . 0.0 112.539 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.75 -38.21 17.14 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.701 1.137 . . . . 0.0 108.947 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -64.61 -33.63 76.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.899 0.879 . . . . 0.0 112.599 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.8 -17.43 64.63 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -85.15 -12.08 53.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.444 1.098 . . . . 0.0 112.67 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.09 79.87 2.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.872 1.669 . . . . 0.0 110.025 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -83.13 -6.81 59.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.086 1.354 . . . . 0.0 114.198 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.94 -11.54 61.48 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.024 1.773 . . . . 0.0 114.151 169.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 61.56 26.35 16.08 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.388 1.875 . . . . 0.0 113.151 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -32.51 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.164 1.786 . . . . 0.0 112.14 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -112.38 -15.69 13.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.949 1.7 . . . . 0.0 112.458 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -62.0 -22.62 65.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 113.86 170.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.28 152.16 79.71 Favored Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.632 1.573 . . . . 0.0 112.123 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.38 150.75 64.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.709 3.606 . . . . 0.0 112.764 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.89 123.41 83.6 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.216 1.007 . . . . 0.0 109.681 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.36 119.64 5.63 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.263 2.642 . . . . 0.0 111.292 -175.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.74 -16.76 62.22 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.5 m -68.61 -27.48 66.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.048 0.939 . . . . 0.0 112.684 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -94.73 -34.85 12.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.289 1.036 . . . . 0.0 112.039 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.44 81.99 66.51 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.165 1.386 . . . . 0.0 110.193 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.96 -13.03 17.63 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.199 2.599 . . . . 0.0 113.044 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -99.25 10.21 41.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.604 1.561 . . . . 0.0 113.218 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.18 -36.24 68.14 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.808 -1.182 . . . . 0.0 112.734 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.05 -20.09 56.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.558 1.543 . . . . 0.0 113.483 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.33 -30.95 54.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 112.092 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.6 -37.32 15.74 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.903 0.881 . . . . 0.0 112.477 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.8 mm -118.1 118.43 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.168 1.387 . . . . 0.0 111.081 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -76.36 -27.29 56.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 114.176 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 76.19 30.79 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 125.543 1.537 . . . . 0.0 112.111 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.41 145.86 60.51 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.249 2.632 . . . . 0.0 111.145 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -158.38 153.69 25.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 111.876 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -150.83 171.5 17.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 127.354 2.262 . . . . 0.0 110.237 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.18 -23.39 66.58 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -66.45 -44.82 81.75 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.717 0.69 . . . . 0.0 111.371 171.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -67.05 -38.77 86.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.276 1.031 . . . . 0.0 111.126 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mmm -54.47 -55.25 30.83 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.815 0.846 . . . . 0.0 111.045 170.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.49 -46.67 86.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.831 0.852 . . . . 0.0 112.941 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.25 -45.26 95.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.106 0.962 . . . . 0.0 111.777 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.593 0.757 . . . . 0.0 111.907 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.51 -43.6 76.46 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.017 0.927 . . . . 0.0 111.979 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.32 -12.27 61.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.09 7.18 46.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.783 1.633 . . . . 0.0 113.044 171.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 65.1 28.04 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.498 1.919 . . . . 0.0 113.728 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -68.61 -23.16 64.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.708 1.203 . . . . 0.0 113.379 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.32 100.93 11.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.805 1.242 . . . . 0.0 111.57 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.34 -4.79 44.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.305 1.442 . . . . 0.0 113.01 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -153.44 149.41 27.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.291 1.836 . . . . 0.0 109.97 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.48 -24.93 67.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.306 0.642 . . . . 0.0 111.995 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.12 -42.16 94.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.079 0.952 . . . . 0.0 112.73 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.05 -36.28 64.36 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.859 0.863 . . . . 0.0 112.212 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.74 -38.01 87.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.963 0.905 . . . . 0.0 111.594 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -45.51 67.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.956 1.302 . . . . 0.0 111.27 173.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.42 -35.82 82.06 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.12 -26.13 61.11 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.476 -0.765 . . . . 0.0 112.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.61 -41.21 72.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.043 -1.036 . . . . 0.0 110.447 169.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -58.98 -30.36 67.89 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.651 -0.656 . . . . 0.0 112.066 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 7.5 tp -62.77 -45.64 91.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.048 0.84 . . . . 0.0 111.593 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.27 -47.06 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.149 0.979 . . . . 0.0 110.773 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.21 -57.7 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.042 0.937 . . . . 0.0 110.677 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.3 m -65.46 -31.0 71.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.95 -32.6 74.19 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.255 -0.903 . . . . 0.0 112.538 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -74.01 -42.51 60.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.78 -0.575 . . . . 0.0 111.294 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.94 -29.22 62.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.653 1.181 . . . . 0.0 112.621 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.74 -28.79 66.09 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.602 1.161 . . . . 0.0 113.411 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -129.34 70.06 1.41 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.286 1.434 . . . . 0.0 111.15 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -161.92 154.93 20.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.533 1.533 . . . . 0.0 112.348 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.02 159.74 24.75 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.613 0.721 . . . . 0.0 109.968 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.38 6.24 2.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -169.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -148.81 24.98 0.95 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.762 1.225 . . . . 0.0 113.817 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 82.0 p -88.05 156.9 19.06 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.873 0.844 . . . . 0.0 112.072 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.05 -41.2 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.222 1.009 . . . . 0.0 111.166 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.71 -40.77 84.28 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.819 1.247 . . . . 0.0 112.683 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.21 -49.63 76.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.464 0.706 . . . . 0.0 110.867 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -70.57 -24.12 62.71 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.89 86.16 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.602 1.092 . . . . 0.0 111.674 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.36 74.7 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 112.607 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.85 -41.96 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.602 0.637 . . . . 0.0 110.715 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -67.72 -35.06 78.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.004 0.82 . . . . 0.0 112.703 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.79 -43.4 98.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.216 0.916 . . . . 0.0 111.851 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.76 -32.01 71.33 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.47 -66.13 0.93 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 111.457 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.35 -47.74 66.65 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.732 0.813 . . . . 0.0 112.607 -170.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.63 -10.08 85.64 Favored Glycine 0 CA--C 1.532 1.144 0 O-C-N 121.747 -0.595 . . . . 0.0 113.295 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.24 -35.38 90.29 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.56 0.744 . . . . 0.0 111.738 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.37 -41.24 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 111.543 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.09 -31.09 68.49 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.541 -0.725 . . . . 0.0 112.059 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -71.73 -51.02 24.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.851 0.86 . . . . 0.0 112.526 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.63 -34.65 78.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.271 1.028 . . . . 0.0 112.154 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.26 -23.6 23.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 112.874 -169.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -65.02 -28.61 69.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.389 1.076 . . . . 0.0 112.331 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.07 -27.42 68.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.117 0.967 . . . . 0.0 113.269 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -70.08 -24.45 63.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.386 1.074 . . . . 0.0 112.628 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.91 -43.72 12.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.494 1.118 . . . . 0.0 112.159 170.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -64.84 -31.33 72.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -22.18 66.96 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -112.13 -16.76 12.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.741 1.616 . . . . 0.0 113.998 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.58 -0.51 79.0 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.792 1.663 . . . . 0.0 113.999 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 10.5 t -157.06 145.59 19.67 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.372 1.469 . . . . 0.0 111.708 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -99.47 -169.23 30.22 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.505 1.526 . . . . 0.0 113.614 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.75 152.87 69.45 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 123.73 2.953 . . . . 0.0 111.117 174.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 15.1 t -74.22 -31.94 62.81 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.3 m 64.34 7.75 3.77 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.65 1.98 . . . . 0.0 115.484 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.524 1.535 . . . . 0.0 113.019 179.204 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 119.948 -0.073 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.65 107.75 0.58 Allowed Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.679 1.133 . . . . 0.0 113.22 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -150.72 165.47 33.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.263 2.225 . . . . 0.0 110.568 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.95 173.14 54.6 Favored Glycine 0 N--CA 1.476 1.346 0 C-N-CA 124.539 1.066 . . . . 0.0 112.768 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.06 107.62 0.26 Allowed Glycine 0 N--CA 1.468 0.816 0 C-N-CA 126.474 1.987 . . . . 0.0 111.731 173.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.14 -146.83 45.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.323 0.963 . . . . 0.0 112.242 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.76 160.94 31.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.492 1.517 . . . . 0.0 112.888 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.8 -124.58 2.97 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.558 1.551 . . . . 0.0 112.128 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.46 1.904 . . . . 0.0 112.534 -174.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 65.7 p -123.89 9.82 8.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.008 1.323 . . . . 0.0 113.842 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -70.01 146.28 51.16 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.889 -1.132 . . . . 0.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.84 -155.74 32.17 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.781 1.181 . . . . 0.0 112.584 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.7 p -81.32 137.04 35.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.084 0.953 . . . . 0.0 112.12 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -97.58 95.19 7.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.8 1.24 . . . . 0.0 112.21 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.58 -37.32 6.18 Favored Glycine 0 N--CA 1.472 1.083 0 C-N-CA 124.242 0.925 . . . . 0.0 113.215 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.12 -38.04 75.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.438 1.095 . . . . 0.0 112.643 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.14 -19.6 62.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.161 0.984 . . . . 0.0 113.223 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.22 -28.27 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.129 0.971 . . . . 0.0 110.997 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.42 -49.81 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.548 -0.72 . . . . 0.0 110.106 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.93 -43.38 92.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.892 0.477 . . . . 0.0 111.589 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.22 -33.19 75.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.97 -42.26 63.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.43 0.692 . . . . 0.0 112.351 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.5 m -65.38 -43.55 90.34 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.812 1.245 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.25 -39.36 72.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.934 0.894 . . . . 0.0 112.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -68.62 -24.44 64.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.403 0.681 . . . . 0.0 112.499 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.65 -23.2 34.35 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.403 -0.811 . . . . 0.0 113.035 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.08 -26.76 64.14 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.08 1.309 . . . . 0.0 111.331 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.55 -19.87 62.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.645 -0.659 . . . . 0.0 112.498 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.71 -1.2 37.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.487 1.115 . . . . 0.0 112.753 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -106.79 -26.16 11.4 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.23 1.412 . . . . 0.0 112.618 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -92.1 81.91 5.06 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.093 1.357 . . . . 0.0 109.469 169.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.4 t -84.26 -5.38 59.25 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.785 1.234 . . . . 0.0 113.796 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.75 -11.89 61.38 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.562 1.553 . . . . 0.0 113.734 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 60.82 26.38 16.22 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.335 1.854 . . . . 0.0 113.12 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -75.88 -31.34 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.687 1.595 . . . . 0.0 112.249 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.77 -17.91 12.43 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.626 1.571 . . . . 0.0 112.347 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -59.74 -22.39 62.0 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -135.06 149.12 69.4 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 125.881 1.673 . . . . 0.0 112.646 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -66.82 150.73 83.23 Favored 'Trans proline' 0 CA--C 1.537 0.65 1 C-N-CA 125.463 4.108 . . . . 0.0 112.817 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.69 128.05 93.52 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.246 1.018 . . . . 0.0 110.446 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.0 115.12 4.19 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.341 2.694 . . . . 0.0 110.63 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.83 -22.91 63.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.27 -18.08 56.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 113.939 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.3 9.0 9.71 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.213 1.405 . . . . 0.0 113.375 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -149.65 77.98 8.5 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.275 1.83 . . . . 0.0 109.16 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.24 -12.08 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.166 2.577 . . . . 0.0 113.13 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -100.55 10.12 41.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.415 1.486 . . . . 0.0 113.288 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.2 -39.44 72.45 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.909 -1.12 . . . . 0.0 112.576 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.5 mt -78.3 -20.55 51.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.092 1.357 . . . . 0.0 113.29 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.23 -27.95 38.65 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -97.84 -24.2 15.53 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -119.34 119.89 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.768 1.227 . . . . 0.0 110.884 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.18 -29.09 42.75 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -130.45 78.27 74.51 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 126.392 1.877 . . . . 0.0 110.668 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.36 131.69 10.79 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.847 2.365 . . . . 0.0 110.325 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.8 ttt -157.45 163.97 37.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.886 0.874 . . . . 0.0 112.78 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -153.41 162.99 40.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.728 1.611 . . . . 0.0 112.339 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -54.89 -32.04 60.53 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.382 1.073 . . . . 0.0 113.228 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -64.9 -38.28 90.44 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.865 0.757 . . . . 0.0 111.776 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 15.5 m -68.04 -38.58 82.66 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.954 0.902 . . . . 0.0 111.094 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.3 mtp -58.53 -52.16 66.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.961 0.504 . . . . 0.0 111.127 170.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -56.67 -47.58 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.78 1.232 . . . . 0.0 112.636 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.16 -46.07 88.91 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.171 0.988 . . . . 0.0 112.011 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.79 -36.05 82.44 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.31 -40.39 70.85 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.144 -0.972 . . . . 0.0 111.592 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.54 -13.57 62.17 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.132 0.973 . . . . 0.0 113.297 171.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.74 4.31 47.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.875 1.67 . . . . 0.0 113.007 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 64.55 27.05 13.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.572 1.949 . . . . 0.0 113.817 175.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -67.9 -18.98 64.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -104.54 103.26 12.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.782 1.233 . . . . 0.0 111.839 -174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.26 -6.09 28.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.417 1.487 . . . . 0.0 112.924 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -142.28 144.46 33.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.157 1.783 . . . . 0.0 109.755 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.04 -26.88 67.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.21 0.604 . . . . 0.0 112.491 -173.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.04 -40.72 90.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.7 1.2 . . . . 0.0 113.184 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.82 -20.84 48.71 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.143 -0.973 . . . . 0.0 112.732 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -83.66 -11.2 57.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.744 1.618 . . . . 0.0 112.664 170.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.85 -42.06 8.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.224 1.41 . . . . 0.0 111.075 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.22 -30.16 71.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.007 1.323 . . . . 0.0 114.49 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -80.46 -28.04 37.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.226 1.01 . . . . 0.0 113.508 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.04 -42.91 84.02 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.463 169.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -56.52 -35.63 68.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.632 0.773 . . . . 0.0 112.152 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -41.97 98.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.055 0.843 . . . . 0.0 112.087 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.42 -40.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.72 1.208 . . . . 0.0 111.415 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.9 -54.12 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.374 0.67 . . . . 0.0 110.075 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -30.82 71.85 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -52.82 -34.04 52.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.652 1.181 . . . . 0.0 112.575 171.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 6.2 t -82.57 -40.42 20.94 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.958 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.78 -20.35 64.34 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.922 0.889 . . . . 0.0 112.19 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -82.9 -29.02 29.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.514 1.525 . . . . 0.0 115.031 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -137.91 16.95 2.85 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.33 135.84 48.49 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.097 -1.627 . . . . 0.0 110.799 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.72 158.04 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.106 0.955 . . . . 0.0 113.05 -170.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -71.5 10.46 0.63 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.32 18.33 1.72 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.667 1.587 . . . . 0.0 113.06 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 45.7 p -109.71 159.75 16.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.9 1.28 . . . . 0.0 111.599 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.22 -43.34 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.339 1.056 . . . . 0.0 112.174 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -66.33 -47.41 73.57 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.167 0.987 . . . . 0.0 111.988 -171.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.59 -43.38 84.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 111.781 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.43 61.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.98 -31.69 72.07 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.692 -1.255 . . . . 0.0 112.888 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.19 -33.69 70.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.215 -0.928 . . . . 0.0 112.697 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.53 -37.98 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.512 0.725 . . . . 0.0 110.452 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.69 -44.32 96.67 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.66 0.664 . . . . 0.0 111.701 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.55 -45.33 94.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.752 0.821 . . . . 0.0 112.508 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.26 -31.74 70.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.236 1.015 . . . . 0.0 113.191 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -87.68 -66.0 0.96 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.003 1.321 . . . . 0.0 111.57 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -71.17 -49.74 40.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.638 0.775 . . . . 0.0 112.255 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.51 -12.37 84.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.692 -0.63 . . . . 0.0 113.283 175.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.04 82.11 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 169.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.45 72.46 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.104 0.952 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.55 -34.96 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.054 0.942 . . . . 0.0 112.164 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 76.7 mt -73.69 -38.78 64.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.534 0.733 . . . . 0.0 111.283 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -68.18 -43.67 77.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.753 1.221 . . . . 0.0 113.422 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -66.71 -34.5 77.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.211 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.11 -25.73 20.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.915 0.886 . . . . 0.0 112.937 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -57.15 -29.19 63.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.891 1.276 . . . . 0.0 111.984 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.22 -29.07 65.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.839 1.256 . . . . 0.0 113.18 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.04 -21.24 59.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.742 1.217 . . . . 0.0 112.812 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.29 -40.62 12.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.741 1.217 . . . . 0.0 111.995 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.03 -33.83 76.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -27.12 69.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -101.38 -13.45 17.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.05 1.34 . . . . 0.0 114.227 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.08 -11.55 75.95 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.889 1.233 . . . . 0.0 113.053 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 16.9 t -74.28 151.89 39.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.199 1.4 . . . . 0.0 112.642 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -157.07 177.68 33.83 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.111 1.339 . . . . 0.0 114.079 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.23 168.68 24.23 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.354 3.369 . . . . 0.0 112.293 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 91.8 p -159.28 173.89 15.62 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.705 1.602 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 22.9 t -153.89 131.43 11.39 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.749 -1.219 . . . . 0.0 111.336 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 125.551 1.548 . . . . 0.0 112.717 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.919 -0.03 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.32 28.84 0.09 OUTLIER Glycine 0 CA--C 1.535 1.288 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.5 ptt85 -74.49 178.15 5.5 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.597 1.159 . . . . 0.0 113.199 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 159.19 53.73 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.024 0.821 . . . . 0.0 112.755 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.11 88.75 0.07 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 125.432 1.492 . . . . 0.0 113.303 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.97 129.29 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.566 1.079 . . . . 0.0 111.563 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.85 142.45 28.88 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.219 1.008 . . . . 0.0 112.096 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.23 175.42 52.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.883 1.23 . . . . 0.0 113.705 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.873 1.669 . . . . 0.0 111.815 -174.142 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.0 m -148.06 -51.72 0.18 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.629 1.172 . . . . 0.0 112.345 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 m 65.65 16.2 10.39 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.733 1.613 . . . . 0.0 114.627 171.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.88 -123.13 2.13 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.911 1.72 . . . . 0.0 112.182 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -69.67 -12.7 61.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -90.42 94.0 9.55 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.536 1.535 . . . . 0.0 111.763 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.32 -38.14 4.36 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.734 1.159 . . . . 0.0 113.323 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.4 -37.99 73.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.612 1.165 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -72.81 -16.73 61.61 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.114 0.966 . . . . 0.0 113.491 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -76.85 -31.55 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.643 1.177 . . . . 0.0 110.76 171.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.92 -48.33 80.9 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.81 -46.53 71.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.103 0.561 . . . . 0.0 111.8 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -63.25 -35.04 79.01 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.58 -38.94 62.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.591 0.757 . . . . 0.0 112.276 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -65.88 -46.93 76.56 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.027 1.331 . . . . 0.0 111.242 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.64 -40.68 79.79 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.702 0.801 . . . . 0.0 112.574 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.68 -25.46 65.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.217 0.607 . . . . 0.0 112.614 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -78.05 -33.06 51.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.387 0.994 . . . . 0.0 111.84 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.08 -33.69 74.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.77 1.168 . . . . 0.0 111.497 169.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.54 -19.66 62.88 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -82.17 -19.28 40.22 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.044 0.838 . . . . 0.0 113.03 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -78.91 -16.18 57.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -97.59 80.45 2.83 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.551 1.14 . . . . 0.0 110.52 172.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 62.7 p -84.38 -5.81 59.32 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.853 1.261 . . . . 0.0 114.23 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.04 -12.55 60.1 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.952 1.739 . . . . 0.0 113.976 170.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 60.99 27.51 17.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.345 1.858 . . . . 0.0 113.108 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -77.24 -29.97 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.755 1.622 . . . . 0.0 112.032 -173.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -117.15 -13.86 10.52 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.049 1.74 . . . . 0.0 112.817 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -58.36 -23.05 55.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.569 1.548 . . . . 0.0 113.929 170.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -132.59 155.81 80.8 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 126.076 1.75 . . . . 0.0 111.608 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.81 151.41 78.59 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.464 3.442 . . . . 0.0 111.551 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.78 126.01 87.66 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.89 0.876 . . . . 0.0 109.866 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 117.2 4.91 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.39 2.727 . . . . 0.0 111.054 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.59 -23.9 63.6 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -61.02 -18.08 55.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.068 1.347 . . . . 0.0 113.954 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.93 8.52 9.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.115 1.366 . . . . 0.0 113.584 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.549 HG11 ' HH ' ' B' ' 122' ' ' TYR . 44.5 t -147.93 81.69 8.2 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.115 1.766 . . . . 0.0 109.25 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.2 -7.26 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.208 2.605 . . . . 0.0 113.079 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -108.75 12.88 25.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.805 1.642 . . . . 0.0 113.126 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -56.11 -45.08 79.62 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.871 -1.143 . . . . 0.0 112.256 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.86 -19.1 41.67 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.733 1.213 . . . . 0.0 113.265 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.43 -23.37 53.94 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.348 1.059 . . . . 0.0 112.344 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -98.57 -40.2 8.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.037 0.935 . . . . 0.0 113.413 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 30.9 mm -105.51 114.78 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.754 1.161 . . . . 0.0 111.071 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -78.79 -27.23 44.45 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -137.92 77.19 38.45 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.436 1.494 . . . . 0.0 110.335 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.56 153.35 30.41 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.152 3.234 . . . . 0.0 112.329 -172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttm -166.0 165.2 18.14 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.005 1.722 . . . . 0.0 112.198 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -164.98 168.03 17.88 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.367 2.667 . . . . 0.0 110.215 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.06 -29.86 70.78 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -72.41 -38.45 68.4 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.251 0.932 . . . . 0.0 111.016 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 41.3 m -59.98 -46.36 89.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 76.6 mtp -58.95 -46.64 87.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.058 0.845 . . . . 0.0 112.013 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.38 -42.29 86.72 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.679 0.792 . . . . 0.0 112.958 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.78 -44.01 94.63 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.76 0.824 . . . . 0.0 111.895 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.43 -35.75 78.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.304 0.642 . . . . 0.0 112.183 172.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.36 -42.95 61.61 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.585 -1.322 . . . . 0.0 112.136 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.33 -10.96 60.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.953 0.901 . . . . 0.0 113.285 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.61 8.51 41.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.092 1.757 . . . . 0.0 112.947 171.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 62.58 24.85 14.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.074 1.749 . . . . 0.0 113.778 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -67.91 -24.66 65.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.303 1.041 . . . . 0.0 112.98 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -90.89 106.94 18.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 111.845 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.38 -8.35 19.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.446 1.499 . . . . 0.0 112.865 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -143.42 141.37 30.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.678 1.991 . . . . 0.0 109.803 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -66.57 -26.36 67.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 122.889 0.476 . . . . 0.0 111.759 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.04 -45.75 79.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.67 -33.22 62.44 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.07 0.948 . . . . 0.0 112.274 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.3 -38.19 81.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.645 1.178 . . . . 0.0 111.927 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.45 -41.77 69.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.755 1.222 . . . . 0.0 111.629 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.954 -1.091 . . . . 0.0 112.94 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.68 -26.6 60.81 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.547 -0.72 . . . . 0.0 112.654 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -70.1 -43.56 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -57.62 -34.62 69.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.182 0.593 . . . . 0.0 111.889 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.16 -45.09 94.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.046 0.839 . . . . 0.0 111.923 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 99.1 mt -59.28 -47.25 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.897 0.879 . . . . 0.0 110.947 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.77 -52.99 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.168 0.987 . . . . 0.0 110.588 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 71.9 m -62.0 -34.79 76.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.87 -19.52 65.75 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.163 -0.96 . . . . 0.0 113.244 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.57 -56.37 4.59 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.61 -26.05 63.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.158 1.783 . . . . 0.0 113.624 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -85.3 -11.79 53.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.549 ' HH ' HG11 ' B' ' 77' ' ' VAL . 48.5 t80 -142.97 60.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.522 1.929 . . . . 0.0 112.491 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -156.19 -173.36 4.47 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.917 1.287 . . . . 0.0 112.632 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.69 152.95 41.5 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.081 1.352 . . . . 0.0 110.376 170.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -74.08 8.98 1.76 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -169.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -120.62 -4.74 9.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.797 1.639 . . . . 0.0 113.677 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 31.1 p -84.9 161.26 19.92 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.089 0.956 . . . . 0.0 112.309 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.6 tt -60.98 -40.95 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.639 0.776 . . . . 0.0 111.551 169.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.68 -35.06 76.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.778 1.231 . . . . 0.0 112.493 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -60.15 -52.95 63.16 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.787 0.835 . . . . 0.0 111.308 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -67.69 -30.45 69.98 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.7 89.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.223 0.92 . . . . 0.0 112.472 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.75 78.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.435 0.694 . . . . 0.0 112.449 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.89 -43.18 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -67.69 -32.01 72.37 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.683 0.793 . . . . 0.0 112.691 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.21 -44.04 80.57 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.738 . . . . 0.0 111.475 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -60.35 -28.27 68.03 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -83.82 -69.36 0.64 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.999 1.319 . . . . 0.0 111.539 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.83 -41.55 71.36 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.79 -18.61 69.84 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-N 118.779 0.718 . . . . 0.0 112.872 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.22 -34.45 89.96 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 117.977 0.889 . . . . 0.0 111.03 170.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.22 95.17 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.783 0.792 . . . . 0.0 112.176 169.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.61 -38.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.78 0.832 . . . . 0.0 111.063 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.09 -35.19 69.14 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.811 -0.556 . . . . 0.0 111.705 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -44.79 73.72 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 112.801 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -67.96 -23.95 65.11 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.46 1.104 . . . . 0.0 113.094 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.86 -30.75 12.96 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.768 0.827 . . . . 0.0 112.634 -173.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.65 -42.91 89.43 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.724 1.21 . . . . 0.0 112.237 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -58.05 -22.03 48.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -75.93 -20.93 57.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.47 1.108 . . . . 0.0 112.441 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.71 -43.07 10.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.226 1.41 . . . . 0.0 111.74 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.42 -28.63 69.39 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -22.04 66.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -112.62 -13.68 13.26 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.892 1.677 . . . . 0.0 114.212 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -87.95 -5.83 76.68 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.42 1.486 . . . . 0.0 114.061 171.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 64.0 p -73.75 160.62 31.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.429 1.491 . . . . 0.0 113.849 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 159.01 -177.18 35.69 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.581 1.562 . . . . 0.0 113.173 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.88 120.63 6.76 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.609 2.872 . . . . 0.0 110.194 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 87.1 p -169.18 169.29 9.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.468 1.507 . . . . 0.0 112.122 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 34.9 m -67.66 138.79 56.62 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.958 -1.088 . . . . 0.0 112.756 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.294 0 C-N-CA 124.99 1.281 . . . . 0.0 113.752 177.822 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.792 0.329 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.81 14.16 65.6 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 124.509 1.052 . . . . 0.0 115.366 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -87.89 13.01 11.69 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.625 1.57 . . . . 0.0 113.807 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -172.83 52.41 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 124.786 1.184 . . . . 0.0 111.613 -169.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.54 161.21 30.78 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 126.773 2.13 . . . . 0.0 111.509 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 111.56 3.29 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.814 0.721 . . . . 0.0 111.753 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -79.43 161.42 26.13 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.756 1.222 . . . . 0.0 112.325 175.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.58 156.92 53.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.494 1.045 . . . . 0.0 112.867 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.255 1.367 0 C-N-CA 125.15 1.38 . . . . 0.0 112.881 -176.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.422 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -149.29 24.56 0.91 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.228 1.011 . . . . 0.0 112.511 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -69.18 140.31 54.63 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.41 -1.431 . . . . 0.0 112.444 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.19 167.36 41.43 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.297 0.951 . . . . 0.0 113.228 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.3 m -69.07 162.98 25.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.311 1.044 . . . . 0.0 112.539 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -154.82 156.41 36.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.402 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.64 -32.45 83.47 Favored Glycine 0 N--CA 1.47 0.94 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.874 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.69 -40.71 92.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.755 1.222 . . . . 0.0 112.498 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.46 -30.97 69.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.194 0.998 . . . . 0.0 111.786 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.3 -32.98 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.02 0.928 . . . . 0.0 111.533 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.05 -39.9 96.12 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.668 1.122 . . . . 0.0 110.888 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.05 -44.35 72.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.917 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.61 -31.28 72.23 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.409 0.549 . . . . 0.0 112.359 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -70.1 -37.49 75.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.517 1.127 . . . . 0.0 112.526 172.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.9 m -79.75 -44.38 20.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.532 1.533 . . . . 0.0 111.677 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.81 -39.43 77.55 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.77 0.828 . . . . 0.0 112.477 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.99 -12.85 60.43 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.89 -27.66 23.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.345 1.058 . . . . 0.0 111.911 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -30.43 69.6 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.886 1.221 . . . . 0.0 111.6 169.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -70.46 -20.37 62.89 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.69 -15.2 61.7 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.921 0.782 . . . . 0.0 112.595 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -90.81 6.75 43.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.494 1.518 . . . . 0.0 113.266 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -133.71 75.27 1.59 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.702 1.601 . . . . 0.0 110.853 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 75.8 p -81.38 -7.82 59.64 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.817 1.647 . . . . 0.0 114.238 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.57 -11.04 62.77 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.981 1.753 . . . . 0.0 114.348 169.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 56.82 33.67 23.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.128 1.771 . . . . 0.0 113.323 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 53.7 mt -77.0 -26.07 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.494 1.518 . . . . 0.0 111.736 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.89 -12.99 9.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.348 1.859 . . . . 0.0 112.877 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.3 m -53.43 -27.97 27.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.78 1.632 . . . . 0.0 113.807 169.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -138.25 158.85 70.12 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.622 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.79 153.7 77.02 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 124.445 3.43 . . . . 0.0 111.951 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -62.24 127.24 89.34 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 123.938 0.895 . . . . 0.0 110.019 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.34 114.4 3.62 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.389 2.726 . . . . 0.0 110.867 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.9 -25.67 64.72 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.146 0.578 . . . . 0.0 112.28 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -61.14 -17.94 55.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.285 1.434 . . . . 0.0 113.933 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -123.61 6.0 8.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.151 1.381 . . . . 0.0 113.679 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 t -148.84 76.24 9.74 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.006 1.722 . . . . 0.0 109.664 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.58 -11.24 20.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.084 2.523 . . . . 0.0 113.445 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -103.5 7.43 37.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.331 1.452 . . . . 0.0 113.072 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -57.49 -49.01 77.68 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.036 -1.04 . . . . 0.0 112.107 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.41 -18.66 60.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.833 1.253 . . . . 0.0 113.231 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.06 -16.1 59.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.309 1.043 . . . . 0.0 112.774 173.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.32 -32.07 6.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.983 1.313 . . . . 0.0 113.572 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 mm -99.74 110.8 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.911 1.284 . . . . 0.0 110.081 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -30.57 48.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 0.0 113.12 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -132.51 70.52 79.54 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.022 1.729 . . . . 0.0 111.939 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.57 144.26 39.75 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.259 2.64 . . . . 0.0 111.609 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 69.9 mmm -152.05 168.16 26.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.76 2.024 . . . . 0.0 111.728 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -166.77 164.74 16.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.269 2.228 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.25 -27.43 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.86 -41.44 82.9 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.059 0.845 . . . . 0.0 111.365 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -64.94 -42.61 94.51 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.237 1.015 . . . . 0.0 110.919 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.5 mmm -57.36 -49.27 76.7 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.129 0.422 . . . . 0.0 110.788 173.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.43 -44.4 89.11 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.522 -0.736 . . . . 0.0 112.81 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.75 -43.03 90.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.102 0.961 . . . . 0.0 112.215 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.85 -35.76 77.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.778 0.831 . . . . 0.0 111.8 172.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.37 -42.01 62.71 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.76 -1.213 . . . . 0.0 111.84 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.53 -19.17 63.37 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.604 1.161 . . . . 0.0 112.815 172.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.33 6.55 40.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.325 1.85 . . . . 0.0 113.25 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 62.78 26.87 15.82 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.938 1.695 . . . . 0.0 113.835 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -66.86 -25.78 66.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.996 0.918 . . . . 0.0 112.853 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -89.88 109.61 20.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.681 1.193 . . . . 0.0 111.411 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.09 -10.62 16.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.147 1.379 . . . . 0.0 113.154 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.53 148.13 32.87 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.402 1.881 . . . . 0.0 109.852 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -66.48 -28.32 68.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.029 0.531 . . . . 0.0 112.087 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.45 -44.06 93.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.924 1.289 . . . . 0.0 112.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -72.2 -35.19 68.87 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.947 0.794 . . . . 0.0 112.241 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -67.12 -37.04 83.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.397 1.079 . . . . 0.0 111.759 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.67 -37.72 65.18 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 111.95 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.2 -34.68 71.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.782 -1.199 . . . . 0.0 113.557 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -69.44 -29.18 66.83 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.543 -0.723 . . . . 0.0 112.14 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -66.34 -44.46 83.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.303 -0.873 . . . . 0.0 111.185 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -59.07 -36.5 75.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.691 -0.631 . . . . 0.0 111.994 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.2 tp -63.58 -44.01 95.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.038 0.935 . . . . 0.0 111.613 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.02 -44.68 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.268 1.027 . . . . 0.0 111.643 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 66.0 t -57.75 -51.98 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.596 0.758 . . . . 0.0 110.651 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 t -59.84 -36.49 76.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.099 0.96 . . . . 0.0 113.365 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.57 -21.59 66.14 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.933 -1.104 . . . . 0.0 113.7 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.33 -52.52 9.04 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.723 0.692 . . . . 0.0 110.278 170.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.97 -24.75 67.2 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.102 1.361 . . . . 0.0 112.895 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -79.64 -18.3 51.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.715 . . . . 0.0 113.887 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -146.11 83.08 1.62 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.671 1.188 . . . . 0.0 112.802 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -169.71 -179.91 3.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.402 2.281 . . . . 0.0 111.092 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.63 154.98 18.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.59 1.156 . . . . 0.0 111.04 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -70.13 2.46 3.64 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 -169.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -138.61 14.0 2.74 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.969 1.308 . . . . 0.0 114.216 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.3 p -87.01 161.38 18.22 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.19 -0.944 . . . . 0.0 113.315 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 13.8 tt -59.52 -35.84 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.168 0.987 . . . . 0.0 111.216 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -72.92 -36.8 67.32 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 125.129 1.372 . . . . 0.0 112.966 -174.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.74 -51.11 71.18 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.236 0.541 . . . . 0.0 109.674 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.03 -31.68 73.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.26 1.024 . . . . 0.0 112.961 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.34 94.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.494 1.043 . . . . 0.0 112.215 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.63 75.04 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.484 0.713 . . . . 0.0 112.079 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.3 -39.61 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.141 0.576 . . . . 0.0 111.018 171.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -65.76 -39.48 91.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.734 0.813 . . . . 0.0 112.109 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.68 -49.22 77.22 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.86 0.754 . . . . 0.0 111.542 170.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.9 -30.32 67.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.082 0.953 . . . . 0.0 113.484 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.07 -66.87 0.88 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.962 1.305 . . . . 0.0 111.826 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -76.29 -28.79 57.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -89.96 -17.36 54.07 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 119.158 0.89 . . . . 0.0 112.581 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.4 -35.93 92.39 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-N 118.349 1.075 . . . . 0.0 110.627 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.0 93.69 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.099 0.96 . . . . 0.0 112.419 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.2 -37.81 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.667 1.187 . . . . 0.0 110.998 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.22 -33.12 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.982 0.913 . . . . 0.0 111.573 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -67.96 -52.88 30.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.401 1.08 . . . . 0.0 112.827 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -60.5 -33.68 72.97 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.11 0.964 . . . . 0.0 112.513 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.46 -25.41 23.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 0.0 113.001 -169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -59.73 -32.53 70.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.503 1.121 . . . . 0.0 111.955 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.34 -30.01 69.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.301 1.04 . . . . 0.0 113.208 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.5 -19.89 60.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.857 1.263 . . . . 0.0 112.614 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.11 -43.6 10.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 111.933 170.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.85 -30.04 71.02 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.853 0.861 . . . . 0.0 113.309 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -23.65 67.14 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -111.28 -14.49 13.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.434 1.494 . . . . 0.0 114.209 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.07 -7.15 70.64 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.268 1.414 . . . . 0.0 113.758 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 5.8 t 75.0 145.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.714 2.805 . . . . 0.0 113.312 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -164.37 -176.03 35.76 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.866 1.222 . . . . 0.0 114.352 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.03 163.98 34.22 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 124.32 3.347 . . . . 0.0 112.159 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 75.6 m -143.7 140.82 30.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.061 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 21.4 t -163.82 145.51 9.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.157 1.383 . . . . 0.0 110.997 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 C-N-CA 125.07 1.319 . . . . 0.0 113.041 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.857 0.361 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.17 -57.33 0.23 Allowed Glycine 0 N--CA 1.474 1.186 0 C-N-CA 124.281 0.943 . . . . 0.0 113.74 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 58.76 51.35 7.69 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.873 1.669 . . . . 0.0 112.604 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.68 173.29 48.92 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 125.129 1.347 . . . . 0.0 113.657 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.98 165.53 36.18 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.281 1.896 . . . . 0.0 113.33 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.99 -156.87 28.37 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.009 1.29 . . . . 0.0 113.056 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt 59.1 53.36 5.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.634 1.573 . . . . 0.0 113.131 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.03 -5.6 80.75 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.129 1.347 . . . . 0.0 115.063 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.274 1.829 . . . . 0.0 111.641 175.543 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.0 t -80.36 -43.46 21.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.905 0.853 . . . . 0.0 112.503 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.7 m 66.11 172.74 0.23 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.91 2.084 . . . . 0.0 115.089 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -142.15 12.15 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.366 1.46 . . . . 0.0 111.831 171.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 148.84 43.03 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.292 1.037 . . . . 0.0 112.593 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.9 p -133.31 96.74 3.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.467 1.107 . . . . 0.0 112.29 -171.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.44 -35.73 4.85 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 124.778 1.18 . . . . 0.0 113.24 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.0 -38.04 75.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 112.514 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.03 -15.53 61.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.545 1.138 . . . . 0.0 113.531 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 68.6 mt -78.9 -31.22 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.716 1.206 . . . . 0.0 110.696 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.93 -46.69 86.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.406 -0.809 . . . . 0.0 110.42 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.71 -45.8 74.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.723 0.409 . . . . 0.0 111.633 -172.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -64.15 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.394 0.543 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.2 -22.19 42.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.584 1.154 . . . . 0.0 113.091 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.1 m -82.39 -44.84 15.62 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.822 1.249 . . . . 0.0 111.077 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.53 -37.96 68.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 113.42 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.46 -21.22 59.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -80.26 -26.51 38.96 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.311 -0.868 . . . . 0.0 111.94 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -28.22 69.36 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.224 0.92 . . . . 0.0 111.9 170.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.89 -22.5 59.7 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.73 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -8.38 54.83 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.469 0.708 . . . . 0.0 112.446 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -102.18 2.64 37.52 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.132 1.773 . . . . 0.0 112.686 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -118.9 78.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.907 2.083 . . . . 0.0 109.222 170.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.7 p -82.13 -7.57 59.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.138 1.375 . . . . 0.0 114.111 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.26 65.31 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.015 1.769 . . . . 0.0 113.808 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 61.97 25.91 15.6 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.513 1.925 . . . . 0.0 112.995 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.55 -35.84 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.781 1.632 . . . . 0.0 112.262 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -110.38 -19.35 12.99 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.319 1.448 . . . . 0.0 112.275 -175.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -58.98 -19.91 47.82 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.511 1.124 . . . . 0.0 113.784 172.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -127.85 151.54 75.79 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 125.619 1.567 . . . . 0.0 111.954 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.28 148.68 68.71 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.955 3.77 . . . . 0.0 112.53 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.96 124.95 88.08 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.858 0.863 . . . . 0.0 110.15 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.16 119.64 6.13 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.499 2.799 . . . . 0.0 111.16 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.36 -22.03 61.95 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.6 p -62.01 -19.62 63.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.969 1.308 . . . . 0.0 114.046 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -121.22 7.84 10.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.26 1.424 . . . . 0.0 113.383 170.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.579 HG11 ' HH ' ' B' ' 122' ' ' TYR . 32.6 t -146.07 80.29 10.39 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.04 1.736 . . . . 0.0 109.592 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.68 -9.24 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.115 2.544 . . . . 0.0 113.085 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -110.0 11.85 23.86 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.613 1.565 . . . . 0.0 113.227 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.37 -41.47 65.89 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.041 -1.037 . . . . 0.0 111.686 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.55 -18.91 50.74 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.138 1.775 . . . . 0.0 113.091 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.44 -33.98 23.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.57 1.148 . . . . 0.0 112.103 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -87.28 -29.17 21.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -116.94 121.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.159 0.984 . . . . 0.0 110.987 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.63 -31.03 61.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.023 1.329 . . . . 0.0 113.295 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.51 71.4 71.42 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.227 1.811 . . . . 0.0 110.931 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.39 131.34 18.79 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.646 2.898 . . . . 0.0 110.351 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 14.1 ttt -160.28 154.82 23.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.664 1.185 . . . . 0.0 111.877 -170.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.45 172.72 14.0 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.013 2.125 . . . . 0.0 111.012 -174.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -57.02 -30.98 64.66 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -68.75 -38.46 80.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.552 0.615 . . . . 0.0 111.646 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -65.61 -38.66 90.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.088 0.955 . . . . 0.0 111.208 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 25.9 mmm -59.01 -52.19 66.82 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.612 0.642 . . . . 0.0 110.909 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -57.45 -44.61 84.9 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.86 -45.28 94.47 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.073 0.949 . . . . 0.0 111.972 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -62.84 -34.61 77.7 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -72.83 -42.6 63.62 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.528 -0.732 . . . . 0.0 111.807 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.21 -13.14 62.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.806 0.842 . . . . 0.0 113.002 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.5 3.08 48.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.119 1.767 . . . . 0.0 112.961 170.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 63.94 25.21 13.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.845 2.058 . . . . 0.0 113.936 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -74.59 -14.04 60.73 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -90.93 104.33 16.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.83 1.252 . . . . 0.0 111.005 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.17 -10.05 20.77 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.954 1.302 . . . . 0.0 113.005 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -145.04 146.14 31.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.622 1.969 . . . . 0.0 109.46 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.76 -25.74 66.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.522 0.329 . . . . 0.0 111.817 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.45 -48.58 71.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.291 1.436 . . . . 0.0 112.374 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.06 -33.79 65.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.521 0.728 . . . . 0.0 112.505 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.05 -37.64 84.42 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.599 0.759 . . . . 0.0 111.728 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.97 -43.23 62.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.598 1.159 . . . . 0.0 111.479 173.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.07 -35.4 80.43 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.109 -0.994 . . . . 0.0 112.98 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.5 -21.08 61.26 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.575 -0.703 . . . . 0.0 112.63 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -76.34 -42.4 45.0 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.22 -0.925 . . . . 0.0 109.734 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -59.8 -32.29 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.59 -0.693 . . . . 0.0 112.408 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.1 -47.31 85.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.405 1.082 . . . . 0.0 111.125 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.87 -44.45 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.152 0.981 . . . . 0.0 111.204 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.75 -52.96 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.836 0.854 . . . . 0.0 110.606 174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.5 t -60.93 -37.53 82.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.349 1.059 . . . . 0.0 112.804 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.08 -27.52 69.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.9 -49.66 23.8 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.41 -0.806 . . . . 0.0 111.219 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 55.3 mt -64.36 -26.48 68.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.537 1.135 . . . . 0.0 112.519 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.53 -19.27 49.96 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.718 1.607 . . . . 0.0 114.025 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.579 ' HH ' HG11 ' B' ' 77' ' ' VAL . 52.2 t80 -139.25 62.31 1.53 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.858 1.263 . . . . 0.0 112.737 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.16 163.45 20.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.118 1.367 . . . . 0.0 111.898 172.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.3 165.38 24.95 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.958 0.885 . . . . 0.0 112.29 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -73.93 -1.04 18.01 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -150.18 19.12 0.86 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -169.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 35.7 p -89.84 163.2 15.12 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.225 1.41 . . . . 0.0 113.196 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 tt -56.24 -45.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.61 1.164 . . . . 0.0 111.778 170.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -67.19 -45.03 78.14 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.22 1.008 . . . . 0.0 112.024 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -58.27 -47.07 84.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.837 0.855 . . . . 0.0 111.221 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -73.89 -30.51 62.65 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.538 0.735 . . . . 0.0 112.531 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.14 74.17 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.924 -1.11 . . . . 0.0 112.613 171.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.12 -36.22 74.65 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.505 -0.747 . . . . 0.0 112.581 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.59 -40.63 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 170.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -60.16 -42.79 95.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.874 0.87 . . . . 0.0 111.714 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.9 -47.66 84.87 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.083 0.953 . . . . 0.0 112.299 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -59.05 -33.56 70.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.7 0.8 . . . . 0.0 113.125 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.45 -65.94 0.95 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.981 1.312 . . . . 0.0 111.332 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.45 -36.34 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.75 -18.1 57.06 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.236 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.51 89.42 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.387 1.094 . . . . 0.0 110.951 169.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.77 99.36 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.7 0.8 . . . . 0.0 112.054 169.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.87 -39.28 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 111.3 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 65.5 mt -70.72 -37.26 73.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.328 0.651 . . . . 0.0 111.273 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.33 -47.02 68.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.527 1.131 . . . . 0.0 112.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.17 -33.32 75.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.931 0.892 . . . . 0.0 112.536 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.99 -29.73 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.872 1.269 . . . . 0.0 112.87 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.42 -30.95 61.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.415 1.486 . . . . 0.0 112.613 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -59.71 -28.67 67.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -74.77 -17.06 60.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.367 1.067 . . . . 0.0 112.84 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.47 -40.38 10.87 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.733 1.213 . . . . 0.0 112.083 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.33 -26.1 62.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.91 67.42 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.932 -1.105 . . . . 0.0 113.783 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -105.35 -10.43 17.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.692 1.597 . . . . 0.0 114.32 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.61 -1.49 66.0 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.741 1.639 . . . . 0.0 114.266 170.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 17.2 t -68.27 136.34 53.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.906 1.283 . . . . 0.0 113.132 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -106.5 -167.96 22.76 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.713 1.625 . . . . 0.0 113.836 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.45 174.93 11.94 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.346 3.364 . . . . 0.0 111.704 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 22.7 m 70.05 16.96 7.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.795 1.638 . . . . 0.0 114.157 172.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.9 m -76.75 7.0 5.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.716 1.607 . . . . 0.0 115.026 -175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.155 0 C-N-CA 125.512 1.529 . . . . 0.0 112.965 177.489 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.43 163.25 28.45 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.815 1.198 . . . . 0.0 113.523 -176.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -161.67 128.07 3.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.32 1.448 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.59 Favored Glycine 0 N--CA 1.476 1.308 0 C-N-CA 124.942 1.258 . . . . 0.0 115.112 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.05 154.62 24.74 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 125.418 1.485 . . . . 0.0 114.012 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.26 179.09 16.28 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.333 1.921 . . . . 0.0 113.003 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tttp 68.77 3.14 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.55 1.94 . . . . 0.0 115.251 172.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.24 -42.16 8.13 Favored Glycine 0 CA--C 1.535 1.295 0 O-C-N 120.869 -1.145 . . . . 0.0 113.949 -177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.549 2.34 . . . . 0.0 113.326 -177.43 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.367 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 m -130.14 0.6 4.68 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -169.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -149.54 137.92 20.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.327 1.451 . . . . 0.0 111.155 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.67 -11.8 44.37 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.106 1.336 . . . . 0.0 115.681 175.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m 60.53 112.29 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.982 2.913 . . . . 0.0 115.339 175.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -89.34 91.54 8.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.039 1.336 . . . . 0.0 112.01 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.31 -38.46 5.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.501 1.048 . . . . 0.0 113.213 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -58.12 -37.48 74.67 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.496 1.119 . . . . 0.0 112.481 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.55 -16.44 61.26 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.43 1.092 . . . . 0.0 113.603 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.69 -31.99 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.526 1.13 . . . . 0.0 110.656 170.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.23 -48.65 79.03 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.839 -0.538 . . . . 0.0 110.013 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.23 -45.89 75.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.865 0.466 . . . . 0.0 111.877 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -63.97 -33.12 75.0 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.57 -33.0 42.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.979 0.912 . . . . 0.0 112.776 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.7 m -72.6 -40.06 66.84 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.682 1.193 . . . . 0.0 111.451 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.34 -42.14 77.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.985 0.914 . . . . 0.0 112.554 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.89 -30.25 71.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.584 0.753 . . . . 0.0 112.497 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.13 -12.53 59.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.771 0.829 . . . . 0.0 112.324 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.51 -37.63 13.75 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.181 0.9 . . . . 0.0 109.119 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.5 -31.43 72.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.825 0.85 . . . . 0.0 112.72 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.7 -16.64 64.37 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -85.1 -20.07 30.9 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.228 1.011 . . . . 0.0 112.633 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -92.34 78.14 5.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.795 1.638 . . . . 0.0 110.298 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.2 t -82.57 -3.24 55.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.061 1.344 . . . . 0.0 113.797 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.71 -11.65 57.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.806 1.67 . . . . 0.0 113.516 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.08 26.09 15.41 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.598 1.959 . . . . 0.0 113.143 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.75 -35.48 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.186 1.394 . . . . 0.0 112.18 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -109.42 -20.5 12.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.33 1.452 . . . . 0.0 111.95 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -57.37 -22.84 45.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.896 1.278 . . . . 0.0 113.907 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -132.95 153.33 80.95 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.874 1.67 . . . . 0.0 111.67 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.94 148.94 77.23 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 124.707 3.605 . . . . 0.0 113.16 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.52 123.94 80.93 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 124.098 0.959 . . . . 0.0 109.631 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.05 123.82 8.64 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.19 2.593 . . . . 0.0 111.671 -172.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.62 -14.53 61.2 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.4 t -69.24 -32.54 71.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.79 0.836 . . . . 0.0 111.756 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -87.84 -32.18 19.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.856 0.862 . . . . 0.0 111.953 172.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.73 82.97 36.96 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.597 1.159 . . . . 0.0 111.289 -174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.17 -10.96 19.46 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.177 2.584 . . . . 0.0 113.178 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -102.1 7.0 41.21 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.667 1.587 . . . . 0.0 113.455 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -55.87 -36.73 67.92 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 112.746 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.56 -20.01 61.39 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.163 1.785 . . . . 0.0 113.419 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -88.41 -17.83 29.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.815 1.246 . . . . 0.0 112.846 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -96.59 -35.18 11.16 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 112.358 170.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.02 114.41 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.434 1.494 . . . . 0.0 109.759 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -86.66 -19.32 29.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -174.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -126.05 67.97 63.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.284 1.434 . . . . 0.0 110.067 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.25 136.0 25.86 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.972 3.114 . . . . 0.0 109.903 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.9 ttt -162.26 149.92 14.2 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -148.07 173.63 12.74 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.823 2.449 . . . . 0.0 110.103 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.99 -32.36 63.87 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.18 -37.59 85.83 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 112.01 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -67.2 -41.16 86.29 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 111.298 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 86.5 mtp -63.11 -46.43 87.36 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.672 0.669 . . . . 0.0 111.338 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.05 -47.32 78.11 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.66 -0.65 . . . . 0.0 112.363 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.38 -45.42 94.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.772 0.829 . . . . 0.0 111.72 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.26 -33.05 74.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.755 0.822 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.75 -43.59 46.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.762 -1.211 . . . . 0.0 111.423 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.43 -12.57 61.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.75 5.03 41.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.314 1.845 . . . . 0.0 113.243 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 63.32 25.88 14.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.007 1.723 . . . . 0.0 113.975 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -69.34 -22.33 63.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.983 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.13 105.17 17.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.862 1.265 . . . . 0.0 111.857 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.64 -4.46 25.13 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.254 1.422 . . . . 0.0 113.087 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -153.81 151.7 29.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.651 1.58 . . . . 0.0 110.265 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -68.98 -21.1 64.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.431 0.692 . . . . 0.0 112.26 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.97 -48.96 78.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.847 0.859 . . . . 0.0 112.117 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.59 -32.95 68.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.756 0.707 . . . . 0.0 112.524 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.6 -37.62 82.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.783 0.833 . . . . 0.0 111.762 175.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.27 -43.45 61.0 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.609 1.163 . . . . 0.0 111.479 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.53 -32.27 73.51 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.25 -0.906 . . . . 0.0 113.192 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.42 -28.87 63.24 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.632 -0.667 . . . . 0.0 112.626 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.3 -43.9 76.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.239 -0.913 . . . . 0.0 110.321 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -58.74 -36.19 73.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.92 0.488 . . . . 0.0 111.89 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.33 -44.89 96.43 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.148 0.885 . . . . 0.0 111.697 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.69 -45.44 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.797 0.839 . . . . 0.0 111.184 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.88 -55.0 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.818 0.847 . . . . 0.0 110.578 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -63.39 -35.84 81.73 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.37 -21.67 66.42 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.542 1.064 . . . . 0.0 113.173 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.0 t -77.51 -54.48 6.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.215 0.606 . . . . 0.0 110.237 169.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.87 -26.91 69.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.147 1.379 . . . . 0.0 113.386 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.97 -23.27 60.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.96 1.704 . . . . 0.0 114.194 173.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -147.13 81.09 1.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.979 1.712 . . . . 0.0 111.738 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -168.92 -179.6 3.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.102 2.161 . . . . 0.0 111.938 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.15 148.34 25.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.164 1.385 . . . . 0.0 110.723 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.46 8.16 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -169.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -144.37 11.25 1.49 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 -169.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.5 p -93.37 164.6 13.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.034 0.934 . . . . 0.0 113.419 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.05 -41.67 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.467 1.107 . . . . 0.0 110.629 169.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.92 -38.48 76.24 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.98 1.312 . . . . 0.0 112.319 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.95 -54.37 45.84 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.839 0.856 . . . . 0.0 110.575 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -60.63 -34.04 73.67 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.48 87.51 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.42 1.009 . . . . 0.0 112.305 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.34 80.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.048 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.44 -44.99 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.216 0.606 . . . . 0.0 110.671 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -69.36 -35.61 76.02 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.73 -44.69 96.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.461 1.028 . . . . 0.0 111.889 170.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.12 0.968 . . . . 0.0 113.18 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.0 -65.71 0.98 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.932 1.293 . . . . 0.0 111.449 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.11 -49.08 73.61 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.678 0.791 . . . . 0.0 112.591 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.48 -10.08 80.38 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-O 119.614 -0.548 . . . . 0.0 113.64 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.5 92.11 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 118.272 1.036 . . . . 0.0 110.894 170.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.29 83.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.603 0.761 . . . . 0.0 112.006 169.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.02 -36.89 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.243 1.017 . . . . 0.0 111.977 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.13 -37.32 66.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.487 0.715 . . . . 0.0 111.571 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.69 -46.05 73.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.715 0.806 . . . . 0.0 112.652 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -66.12 -33.3 75.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.024 0.93 . . . . 0.0 112.281 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.7 -28.45 20.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.038 0.935 . . . . 0.0 112.667 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.32 -28.62 68.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.599 1.16 . . . . 0.0 112.415 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.82 -30.18 68.75 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.443 1.097 . . . . 0.0 113.096 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -72.6 -24.53 61.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.175 0.99 . . . . 0.0 112.501 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.01 -41.88 16.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.256 1.022 . . . . 0.0 112.049 170.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.86 -34.6 78.51 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -25.8 65.51 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -102.47 -20.42 14.53 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.994 1.318 . . . . 0.0 114.179 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -86.93 -7.29 78.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.099 1.333 . . . . 0.0 113.819 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 6.0 t 74.6 144.18 0.08 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.574 2.75 . . . . 0.0 113.635 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -173.91 -178.43 43.84 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.126 1.346 . . . . 0.0 113.787 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.57 141.16 37.56 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.914 3.076 . . . . 0.0 111.398 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 99.1 p -168.93 -173.91 1.94 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.009 1.724 . . . . 0.0 111.46 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 22.7 t -137.24 130.54 31.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.694 1.198 . . . . 0.0 110.621 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 C-N-CA 125.144 1.354 . . . . 0.0 112.749 -176.233 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.41 167.47 45.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.342 0.972 . . . . 0.0 113.409 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -156.5 136.12 12.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.237 1.415 . . . . 0.0 110.933 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.74 -164.76 40.3 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.074 1.321 . . . . 0.0 112.763 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.44 133.78 1.85 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 127.347 2.403 . . . . 0.0 112.267 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.22 73.56 0.68 Allowed Glycine 0 N--CA 1.469 0.858 0 C-N-CA 125.275 1.417 . . . . 0.0 111.407 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -153.6 152.2 30.61 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.892 1.277 . . . . 0.0 112.15 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.69 174.7 30.89 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.632 1.587 . . . . 0.0 112.299 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.5 tp . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.513 1.525 . . . . 0.0 112.091 -174.026 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.404 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 72.38 108.91 0.07 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.431 2.293 . . . . 0.0 112.449 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -164.14 151.28 11.85 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 112.452 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.71 -90.38 1.64 Allowed Glycine 0 N--CA 1.47 0.909 0 C-N-CA 125.795 1.664 . . . . 0.0 110.884 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -75.39 137.94 41.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.487 1.115 . . . . 0.0 111.846 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -149.1 31.92 0.76 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.888 1.275 . . . . 0.0 112.917 -169.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.43 -29.2 56.78 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.359 1.457 . . . . 0.0 114.523 -169.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.95 -38.04 78.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.377 1.089 . . . . 0.0 113.124 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.35 -17.35 59.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.344 1.058 . . . . 0.0 112.656 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.19 -28.5 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.591 1.156 . . . . 0.0 111.03 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.19 -56.3 17.84 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.41 -0.806 . . . . 0.0 109.762 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.26 -40.41 96.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.011 0.524 . . . . 0.0 112.371 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -64.85 -33.7 76.64 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -76.07 -34.98 59.58 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -64.17 -45.4 88.58 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.458 1.103 . . . . 0.0 111.286 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.65 -34.83 71.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.79 0.836 . . . . 0.0 113.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -71.91 -23.4 61.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.522 0.729 . . . . 0.0 112.557 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -83.24 -25.37 31.74 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.225 -0.922 . . . . 0.0 112.462 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.29 -27.88 68.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.738 1.154 . . . . 0.0 111.383 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.33 -21.92 61.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.588 0.755 . . . . 0.0 112.9 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -66.61 -20.73 66.07 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.798 0.726 . . . . 0.0 111.893 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -97.57 2.45 50.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.47 1.508 . . . . 0.0 114.035 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.91 85.15 2.22 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.09 1.756 . . . . 0.0 110.332 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.0 t -88.65 -3.84 58.69 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.986 1.314 . . . . 0.0 114.102 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.51 -12.91 66.28 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.147 1.356 . . . . 0.0 113.155 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 62.95 20.76 12.47 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.902 2.081 . . . . 0.0 113.779 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.87 -35.12 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.869 1.268 . . . . 0.0 111.893 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -108.41 -19.55 13.42 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.718 1.207 . . . . 0.0 112.005 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 38.4 m -54.57 -27.52 39.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.587 1.555 . . . . 0.0 114.282 172.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.78 153.64 81.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 125.86 1.664 . . . . 0.0 112.376 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.46 149.34 68.66 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 124.851 3.701 . . . . 0.0 113.164 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.93 126.16 91.3 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.132 0.973 . . . . 0.0 109.704 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.11 114.94 4.13 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.209 2.606 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.96 -23.23 64.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.008 0.523 . . . . 0.0 112.397 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.0 m -60.74 -18.31 53.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.127 1.371 . . . . 0.0 113.954 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.82 7.04 9.88 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.09 1.356 . . . . 0.0 113.742 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.7 t -148.65 80.61 8.18 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.75 -9.75 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.211 2.608 . . . . 0.0 113.28 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -104.44 6.2 34.75 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.323 1.449 . . . . 0.0 113.601 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -56.14 -40.89 74.51 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.4 mt -75.79 -19.82 58.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.156 1.383 . . . . 0.0 113.219 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.23 -22.13 36.03 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.561 1.144 . . . . 0.0 112.702 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -103.83 -24.14 13.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.2 122.48 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.707 1.203 . . . . 0.0 111.035 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.8 -33.55 58.0 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -138.63 72.87 42.28 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.98 1.312 . . . . 0.0 111.894 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.56 125.03 9.76 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 -172.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 49.8 mmm -135.69 170.57 15.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.337 1.855 . . . . 0.0 111.706 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.35 169.37 22.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.218 2.207 . . . . 0.0 110.521 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -54.8 -38.51 67.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.434 0.693 . . . . 0.0 112.838 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -71.17 -30.59 66.61 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 45.1 m -67.08 -45.49 77.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.441 0.696 . . . . 0.0 110.706 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 18.2 ptm -69.77 -29.97 67.43 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -61.61 -47.91 83.3 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.199 -0.938 . . . . 0.0 111.926 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -62.24 -45.95 91.04 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.124 0.969 . . . . 0.0 111.547 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.58 -28.79 68.79 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.1 -40.97 26.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.942 0.897 . . . . 0.0 111.755 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.63 -16.45 62.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.108 0.963 . . . . 0.0 113.053 172.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.13 -3.28 21.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.009 1.724 . . . . 0.0 113.931 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 69.15 50.9 0.54 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.265 2.226 . . . . 0.0 113.205 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -16.37 28.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -82.86 -71.38 0.5 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.89 1.223 . . . . 0.0 113.417 -172.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 66.26 -2.05 1.07 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.165 2.586 . . . . 0.0 115.235 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -147.07 138.45 24.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.135 2.174 . . . . 0.0 108.655 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.6 -28.0 67.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.42 -44.83 89.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.635 1.174 . . . . 0.0 112.379 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.16 -37.24 75.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.589 0.756 . . . . 0.0 112.051 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.15 -37.99 84.74 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.214 1.005 . . . . 0.0 112.11 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -77.03 -33.6 57.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.311 1.444 . . . . 0.0 112.209 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -68.32 -35.32 77.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 113.231 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.44 -40.42 93.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.408 0.683 . . . . 0.0 111.55 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.58 -44.27 94.53 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.472 -0.767 . . . . 0.0 111.64 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -57.49 -37.04 72.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.033 0.533 . . . . 0.0 112.115 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.269 1.428 . . . . 0.0 111.573 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.33 -40.42 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.217 1.007 . . . . 0.0 111.215 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.2 -58.81 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.588 0.755 . . . . 0.0 111.039 170.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 83.9 p -66.67 -32.05 73.12 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.67 -27.52 68.98 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.088 -1.008 . . . . 0.0 113.071 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -72.23 -53.14 13.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.658 0.663 . . . . 0.0 110.106 171.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.28 -21.82 62.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.774 1.63 . . . . 0.0 113.503 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -78.59 -50.12 12.07 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.223 1.409 . . . . 0.0 113.806 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -110.88 81.06 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.473 1.109 . . . . 0.0 111.587 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.75 -166.27 0.3 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.625 2.37 . . . . 0.0 110.701 -174.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.09 33.7 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.049 0.928 . . . . 0.0 111.393 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -76.76 12.98 1.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.192 2.197 . . . . 0.0 114.263 -169.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -138.11 16.64 2.81 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.241 1.816 . . . . 0.0 113.334 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.0 p -110.66 162.04 15.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.454 1.102 . . . . 0.0 112.996 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.2 tt -61.79 -42.42 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.426 1.091 . . . . 0.0 111.106 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -69.32 -37.33 77.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.621 1.169 . . . . 0.0 112.33 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.03 -54.75 43.21 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.566 1.147 . . . . 0.0 110.794 172.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.54 -31.65 72.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.759 0.824 . . . . 0.0 112.955 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.14 79.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.28 0.945 . . . . 0.0 112.765 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.79 71.32 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 112.306 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.45 -41.79 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.346 0.658 . . . . 0.0 110.571 170.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -64.23 -41.85 96.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.833 0.853 . . . . 0.0 112.215 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.19 -42.72 99.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.953 0.901 . . . . 0.0 112.63 173.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -57.59 -30.77 65.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.09 0.956 . . . . 0.0 113.021 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -86.81 -63.69 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.957 1.303 . . . . 0.0 111.429 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.66 -48.53 63.73 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -170.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.94 -12.25 84.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 121.732 -0.605 . . . . 0.0 112.665 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.25 -37.03 93.53 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 117.984 0.892 . . . . 0.0 112.035 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.12 -38.23 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.761 0.824 . . . . 0.0 111.468 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.07 -33.56 65.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.708 0.803 . . . . 0.0 111.653 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -69.0 -50.76 46.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.275 1.03 . . . . 0.0 113.249 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -63.04 -24.74 68.05 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.355 1.062 . . . . 0.0 112.869 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.02 -28.44 13.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.776 0.83 . . . . 0.0 112.764 -173.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -62.31 -35.94 80.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.506 1.122 . . . . 0.0 112.551 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -20.85 63.97 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.53 -21.78 57.66 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.701 1.2 . . . . 0.0 112.499 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -91.03 -41.58 11.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.918 1.287 . . . . 0.0 112.266 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -31.13 72.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.21 68.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 4.3 mtm -67.76 -21.85 65.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.181 0.992 . . . . 0.0 112.696 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.48 13.16 68.19 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.232 1.873 . . . . 0.0 114.978 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 75.3 m -141.19 145.42 35.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.926 1.29 . . . . 0.0 112.644 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -91.02 178.48 42.1 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.726 1.155 . . . . 0.0 113.128 172.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -70.73 156.22 61.24 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 123.905 3.07 . . . . 0.0 111.413 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 89.5 p -161.44 169.81 21.19 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.143 1.377 . . . . 0.0 112.173 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 78.5 p -159.02 161.03 36.55 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.703 1.201 . . . . 0.0 112.43 -174.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 C-N-CA 125.164 1.364 . . . . 0.0 112.898 -178.552 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.82 19.95 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-N 119.174 0.897 . . . . 0.0 113.048 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -149.28 135.55 19.16 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.639 1.976 . . . . 0.0 110.064 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.06 -9.29 56.09 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.961 1.267 . . . . 0.0 115.103 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.65 161.1 18.08 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 130.483 3.897 . . . . 0.0 111.404 169.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.99 171.02 48.78 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.188 0.899 . . . . 0.0 114.359 -171.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt 64.63 -140.5 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.887 1.675 . . . . 0.0 112.074 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.51 155.97 29.21 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.629 1.585 . . . . 0.0 112.555 -173.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.29 1.836 . . . . 0.0 111.657 -176.118 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.31 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -165.64 -166.55 0.97 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.552 1.941 . . . . 0.0 110.271 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -73.83 162.01 29.57 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.578 -1.326 . . . . 0.0 112.373 169.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.48 62.02 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.418 1.008 . . . . 0.0 114.955 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 55.5 m -63.59 152.39 38.94 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.49 1.145 . . . . 0.0 112.553 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.1 m -143.84 158.36 43.74 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.478 1.511 . . . . 0.0 111.248 -175.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.55 -35.36 88.96 Favored Glycine 0 N--CA 1.472 1.061 0 O-C-N 121.239 -0.913 . . . . 0.0 113.159 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -61.48 -42.88 99.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.582 1.153 . . . . 0.0 112.47 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.95 -31.56 72.22 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.146 0.978 . . . . 0.0 111.32 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.32 -32.58 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.962 0.905 . . . . 0.0 112.194 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.6 mt -54.94 -43.9 73.81 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.369 0.986 . . . . 0.0 110.213 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.24 -36.22 79.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.5 0.72 . . . . 0.0 111.478 -173.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -58.69 -51.24 70.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.466 0.706 . . . . 0.0 110.977 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.63 -30.77 69.56 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.498 0.719 . . . . 0.0 112.936 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -74.46 -48.05 29.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.719 1.208 . . . . 0.0 111.222 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.4 -39.69 84.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.943 0.792 . . . . 0.0 112.418 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.59 -25.77 65.05 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.24 -32.29 49.63 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 111.808 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.88 -31.73 72.04 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.679 1.127 . . . . 0.0 112.237 170.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.23 -23.23 61.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.49 -15.53 59.87 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.92 0.782 . . . . 0.0 112.63 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -87.54 -1.23 57.8 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.693 1.197 . . . . 0.0 113.805 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -119.14 80.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 109.894 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -83.38 -6.1 59.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.786 1.234 . . . . 0.0 113.93 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.95 -11.2 61.88 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.559 1.552 . . . . 0.0 113.807 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.09 31.36 19.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.201 1.8 . . . . 0.0 113.214 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.23 -29.96 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 111.597 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -115.42 -14.84 11.57 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.772 . . . . 0.0 112.373 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.9 m -57.74 -25.77 60.89 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.206 1.402 . . . . 0.0 113.589 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -131.91 152.58 80.53 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.85 1.66 . . . . 0.0 112.24 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.32 153.67 61.45 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 124.857 3.705 . . . . 0.0 112.799 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.38 125.12 89.82 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.025 0.93 . . . . 0.0 109.926 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.5 116.48 4.73 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.364 2.71 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.26 -21.0 61.44 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -61.0 -23.73 65.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.365 1.066 . . . . 0.0 113.205 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -115.98 6.06 14.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.201 1.401 . . . . 0.0 114.038 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.9 t -147.6 82.03 8.26 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.82 1.648 . . . . 0.0 108.947 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.98 -7.03 15.32 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.187 2.592 . . . . 0.0 113.049 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -108.08 12.39 26.87 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.87 1.668 . . . . 0.0 113.059 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -55.41 -41.67 73.06 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.704 -1.247 . . . . 0.0 112.468 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.7 mt -78.43 -19.15 53.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.219 1.408 . . . . 0.0 113.468 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.96 -24.26 58.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.039 0.935 . . . . 0.0 112.351 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -99.59 -30.97 11.83 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.255 1.022 . . . . 0.0 113.417 173.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.2 mm -118.55 111.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 110.892 -174.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -76.11 -29.51 57.9 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.544 1.138 . . . . 0.0 113.598 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -136.14 86.45 25.49 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 126.011 1.725 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.31 145.14 16.76 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.371 2.714 . . . . 0.0 112.11 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 44.9 ttm -158.12 153.17 25.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -147.87 169.77 19.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 109.722 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -58.51 -29.7 66.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.85 -39.59 93.8 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.492 0.717 . . . . 0.0 112.326 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.2 m -63.76 -43.51 96.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.867 . . . . 0.0 110.885 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.9 mtp -62.89 -45.05 94.37 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.796 0.271 . . . . 0.0 111.564 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -58.16 -42.2 85.47 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -64.6 -46.24 83.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.825 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -62.74 -33.73 75.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -75.23 -42.92 54.29 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.264 1.026 . . . . 0.0 111.582 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.87 -15.99 62.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.089 0.955 . . . . 0.0 113.22 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.25 6.76 43.05 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.379 1.872 . . . . 0.0 113.363 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 63.08 30.05 16.21 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 113.954 172.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -79.06 -14.57 59.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.942 1.297 . . . . 0.0 113.935 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -97.07 106.91 19.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.926 1.29 . . . . 0.0 111.245 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -7.66 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.853 1.261 . . . . 0.0 113.128 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -145.17 146.2 31.67 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.556 1.942 . . . . 0.0 109.779 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.96 -27.16 67.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.908 0.483 . . . . 0.0 112.161 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -57.3 -44.66 84.31 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.097 1.359 . . . . 0.0 112.832 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.5 -34.59 65.36 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.617 0.767 . . . . 0.0 112.336 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -67.97 -37.34 81.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.299 1.04 . . . . 0.0 111.65 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.44 -40.11 67.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.997 1.319 . . . . 0.0 111.924 173.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.18 -31.68 71.39 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.027 -1.046 . . . . 0.0 113.108 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.44 -29.86 65.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.558 -0.714 . . . . 0.0 112.399 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.09 -43.52 78.33 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.917 -1.114 . . . . 0.0 111.013 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -57.84 -31.33 66.54 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.942 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.9 -42.68 85.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.211 0.914 . . . . 0.0 112.155 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.7 -44.91 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.222 1.009 . . . . 0.0 111.093 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.94 -54.02 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.236 0.614 . . . . 0.0 110.483 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -61.5 -36.83 81.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 113.05 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -40.13 52.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.965 1.306 . . . . 0.0 112.904 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.2 t -78.32 -34.4 48.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.892 -0.505 . . . . 0.0 111.908 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.39 -21.88 52.51 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.087 0.955 . . . . 0.0 112.187 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -80.5 -24.58 39.3 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.632 1.573 . . . . 0.0 114.333 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -144.27 94.86 2.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.52 172.0 1.19 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.609 2.764 . . . . 0.0 110.323 172.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.51 165.68 17.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.047 0.939 . . . . 0.0 111.4 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -80.74 6.24 13.46 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.05 17.03 1.22 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.777 1.231 . . . . 0.0 113.973 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.3 p -95.21 156.95 16.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.083 1.353 . . . . 0.0 112.941 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.86 -41.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.746 1.218 . . . . 0.0 112.567 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.85 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.816 0.847 . . . . 0.0 112.517 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.33 -43.56 92.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.52 0.728 . . . . 0.0 111.053 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.21 -30.1 60.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.299 1.039 . . . . 0.0 113.063 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.32 74.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.346 0.975 . . . . 0.0 112.389 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.6 81.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.621 0.768 . . . . 0.0 112.584 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.07 -39.97 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.579 0.752 . . . . 0.0 110.492 172.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.56 -33.02 74.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.386 0.674 . . . . 0.0 112.497 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.66 -43.58 84.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.861 0.864 . . . . 0.0 111.568 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -57.71 -32.6 67.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.997 0.919 . . . . 0.0 112.742 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.52 -67.49 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.656 1.183 . . . . 0.0 111.567 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.88 -45.81 73.45 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.45 -13.88 82.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 121.79 -0.569 . . . . 0.0 113.421 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.79 87.79 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.088 0.944 . . . . 0.0 111.329 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.793 0.797 . . . . 0.0 111.765 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.07 -39.87 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.853 0.861 . . . . 0.0 110.914 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.03 -36.81 78.15 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.909 -0.494 . . . . 0.0 111.465 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -72.9 -41.28 64.76 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -65.99 -25.46 67.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.078 0.951 . . . . 0.0 112.506 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.28 13.69 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.612 0.765 . . . . 0.0 112.499 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.49 -41.94 95.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.766 1.627 . . . . 0.0 112.516 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -65.59 -17.83 64.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.05 -17.1 61.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.249 1.02 . . . . 0.0 112.825 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.54 -39.41 12.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.754 1.222 . . . . 0.0 112.578 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.59 -31.72 71.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.69 67.81 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 5.6 mtm -73.49 -21.44 60.42 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.808 1.243 . . . . 0.0 112.928 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -107.28 26.29 19.12 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.643 2.068 . . . . 0.0 113.701 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 9.5 t -153.18 155.92 37.6 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.497 1.119 . . . . 0.0 112.293 -172.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -89.11 -175.99 46.44 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 125.196 1.379 . . . . 0.0 113.67 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.02 130.9 21.1 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.628 2.885 . . . . 0.0 110.408 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 10.1 t -83.57 -33.32 25.43 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.1 m 67.09 163.88 0.2 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.286 2.234 . . . . 0.0 114.614 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.271 -1.294 . . . . 0.0 112.963 178.512 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.737 0.304 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.17 -122.58 1.13 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.771 1.177 . . . . 0.0 113.121 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.74 160.11 41.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.919 1.688 . . . . 0.0 111.326 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.26 172.06 54.54 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.775 1.179 . . . . 0.0 113.166 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.73 151.63 19.2 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 126.621 2.058 . . . . 0.0 112.712 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.27 127.57 8.07 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.302 0.953 . . . . 0.0 111.329 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -161.49 -32.24 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.459 1.104 . . . . 0.0 113.817 -174.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.15 179.3 24.92 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 125.972 1.749 . . . . 0.0 113.192 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.155 1.782 . . . . 0.0 111.625 -176.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -91.42 124.47 35.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.611 1.164 . . . . 0.0 112.188 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 66.25 8.53 5.66 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -148.27 158.62 27.75 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 125.135 1.35 . . . . 0.0 114.088 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -91.78 -8.38 46.93 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m 60.58 39.2 18.22 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 169.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.21 -28.59 50.17 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.48 1.514 . . . . 0.0 114.875 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.82 1.31 . . . . 0.0 113.106 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.65 -16.03 60.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.195 0.998 . . . . 0.0 112.861 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.2 mt -76.24 -29.86 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.68 1.192 . . . . 0.0 110.841 170.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.17 -44.54 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.472 -0.767 . . . . 0.0 110.473 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.54 -44.75 77.54 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.141 -0.457 . . . . 0.0 111.471 -173.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -64.34 -34.64 78.61 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.443 0.565 . . . . 0.0 112.306 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -77.44 -20.25 54.81 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.8 m -87.62 -44.17 11.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.461 1.104 . . . . 0.0 111.546 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.07 -39.85 75.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.378 1.071 . . . . 0.0 112.716 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.44 -28.0 69.37 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -79.51 -21.77 44.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.842 0.857 . . . . 0.0 112.707 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.38 -27.48 60.67 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.881 1.219 . . . . 0.0 111.615 169.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.8 -21.03 63.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.563 0.619 . . . . 0.0 112.412 175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.49 -7.36 53.93 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.371 1.068 . . . . 0.0 113.014 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -102.34 -2.57 28.68 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.449 1.5 . . . . 0.0 113.095 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.23 85.26 2.15 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.45 1.9 . . . . 0.0 109.392 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.9 t -85.67 -4.81 59.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.819 1.248 . . . . 0.0 113.922 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.69 -11.73 57.67 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.413 1.482 . . . . 0.0 113.672 170.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 60.79 26.42 16.24 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.365 1.866 . . . . 0.0 113.151 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.44 -32.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.685 1.594 . . . . 0.0 112.054 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -111.05 -15.65 13.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.714 1.605 . . . . 0.0 112.612 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -56.72 -22.38 34.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.359 1.464 . . . . 0.0 113.843 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.95 156.82 79.63 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.387 1.875 . . . . 0.0 111.736 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.65 150.93 79.73 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.583 3.522 . . . . 0.0 111.859 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.96 126.72 90.64 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.698 0.799 . . . . 0.0 109.933 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.67 117.29 5.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.442 2.761 . . . . 0.0 110.851 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.72 -23.72 62.51 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.06 -18.02 59.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.944 1.298 . . . . 0.0 113.923 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.37 6.32 10.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.214 1.406 . . . . 0.0 113.815 170.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.488 HG11 ' HH ' ' B' ' 122' ' ' TYR . 38.5 t -150.72 78.24 7.58 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.245 1.818 . . . . 0.0 109.073 176.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.02 -11.37 16.46 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.049 2.5 . . . . 0.0 113.012 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.63 12.55 36.21 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.784 1.633 . . . . 0.0 113.012 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -55.83 -41.22 73.94 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.802 -1.187 . . . . 0.0 112.39 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.47 -19.85 55.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.026 1.331 . . . . 0.0 113.403 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.67 -27.35 50.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.106 0.963 . . . . 0.0 112.304 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -96.27 -28.89 14.3 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -118.8 112.06 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.116 1.367 . . . . 0.0 110.527 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -80.37 -26.97 38.32 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -130.41 68.39 81.26 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.81 1.644 . . . . 0.0 111.186 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.88 138.85 32.22 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.685 2.924 . . . . 0.0 111.597 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpt -153.9 162.41 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.016 1.326 . . . . 0.0 113.075 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.89 168.22 17.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 111.76 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.32 -29.8 71.05 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -66.96 -41.82 86.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.877 0.762 . . . . 0.0 110.894 173.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -68.98 -36.81 78.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.878 0.871 . . . . 0.0 111.263 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.8 mtp -56.27 -52.3 65.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.925 0.784 . . . . 0.0 110.859 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.68 -41.39 86.08 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -61.14 -46.31 91.08 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.218 1.007 . . . . 0.0 111.904 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.95 -32.74 74.41 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.833 0.853 . . . . 0.0 112.062 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -73.31 -41.74 63.18 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.461 -1.399 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.08 -12.65 60.52 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.108 0.963 . . . . 0.0 113.504 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.22 8.24 33.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.86 1.664 . . . . 0.0 112.944 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 63.88 23.54 13.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.286 1.834 . . . . 0.0 114.079 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.18 -27.77 69.29 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.49 1.116 . . . . 0.0 112.71 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -85.99 101.72 13.15 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.971 1.308 . . . . 0.0 111.525 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 61.6 mt -96.4 -20.45 18.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.768 1.227 . . . . 0.0 113.633 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -141.22 149.92 42.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.337 1.855 . . . . 0.0 110.452 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -66.64 -26.69 67.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.315 0.646 . . . . 0.0 112.715 -172.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.79 -40.83 85.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.741 1.216 . . . . 0.0 112.722 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -77.34 -33.64 55.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.609 0.763 . . . . 0.0 112.308 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.11 -38.69 88.81 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.03 0.932 . . . . 0.0 111.652 172.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.56 -43.5 69.36 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.909 1.284 . . . . 0.0 111.586 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.09 -34.88 78.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.234 -0.916 . . . . 0.0 113.054 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.17 -27.15 62.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -70.03 -43.29 71.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.588 -0.695 . . . . 0.0 110.405 169.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -59.49 -31.29 69.22 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.126 0.57 . . . . 0.0 112.144 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.7 -42.46 99.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.864 0.866 . . . . 0.0 111.934 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.14 -47.83 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.002 0.921 . . . . 0.0 110.854 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 81.2 t -60.97 -50.45 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.058 . . . . 0.0 110.413 177.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -58.75 -41.44 86.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.382 1.073 . . . . 0.0 112.42 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.06 -21.69 64.98 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.089 -1.007 . . . . 0.0 113.583 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.5 t -74.17 -55.42 6.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.935 0.789 . . . . 0.0 109.72 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.79 -23.08 67.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -81.25 -14.33 57.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.737 2.015 . . . . 0.0 113.933 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.488 ' HH ' HG11 ' B' ' 77' ' ' VAL . 62.8 t80 -150.7 81.09 1.34 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 112.495 177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -170.83 178.63 3.43 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.342 2.257 . . . . 0.0 111.408 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.73 157.22 16.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.787 1.235 . . . . 0.0 110.779 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -66.68 -4.71 9.48 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 -169.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -143.59 16.94 1.83 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -169.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 75.3 p -83.5 163.25 20.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 112.46 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 tt -55.3 -40.84 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.743 0.817 . . . . 0.0 110.995 169.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -68.46 -41.34 80.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.834 1.254 . . . . 0.0 112.168 -175.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -58.68 -52.29 66.32 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.99 0.516 . . . . 0.0 110.422 171.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -67.66 -29.68 69.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.612 0.765 . . . . 0.0 112.733 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.8 78.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.412 1.085 . . . . 0.0 112.788 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.31 75.64 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.409 -0.807 . . . . 0.0 112.062 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.37 -39.17 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.883 -0.511 . . . . 0.0 111.089 170.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -58.54 -47.51 83.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.733 0.813 . . . . 0.0 111.596 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.02 -45.26 95.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.012 0.925 . . . . 0.0 112.367 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -57.36 -32.72 67.05 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.409 1.084 . . . . 0.0 113.22 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -91.4 -64.19 1.16 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.956 1.303 . . . . 0.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -70.27 -42.79 71.64 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -169.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.33 -11.59 81.92 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 118.756 0.707 . . . . 0.0 113.232 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.89 88.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.216 1.008 . . . . 0.0 110.973 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.92 87.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.645 0.778 . . . . 0.0 112.081 169.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.7 -35.34 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.144 0.978 . . . . 0.0 111.761 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.65 -35.94 60.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.269 0.627 . . . . 0.0 111.301 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -67.39 -46.17 74.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.847 0.859 . . . . 0.0 112.758 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.02 -34.49 78.56 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.01 0.924 . . . . 0.0 112.022 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.01 -26.89 21.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.644 0.777 . . . . 0.0 112.489 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -56.61 -33.82 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.791 1.236 . . . . 0.0 111.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.17 -24.89 68.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.77 -23.8 60.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.087 0.858 . . . . 0.0 112.444 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.36 13.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.472 1.109 . . . . 0.0 111.984 171.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.46 -34.01 77.22 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -25.09 67.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -105.68 -13.63 15.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.599 1.559 . . . . 0.0 113.828 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.56 14.35 65.06 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.643 2.068 . . . . 0.0 114.168 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 36.7 m -124.95 155.84 38.97 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.557 1.543 . . . . 0.0 111.912 -178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -75.64 175.36 51.74 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.248 0.928 . . . . 0.0 113.608 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 131.57 26.22 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.761 2.974 . . . . 0.0 110.976 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 32.7 t -170.96 -49.15 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.741 1.616 . . . . 0.0 110.819 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 47.5 m -80.38 163.11 24.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.54 1.136 . . . . 0.0 112.231 170.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.235 0 C-N-CA 125.072 1.32 . . . . 0.0 112.842 -179.255 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.503 0.192 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.26 109.49 2.15 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.508 1.528 . . . . 0.0 112.532 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -96.76 -14.26 22.09 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.342 1.457 . . . . 0.0 113.636 175.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 149.09 19.17 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 124.875 1.226 . . . . 0.0 112.347 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.96 129.85 1.15 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.154 1.835 . . . . 0.0 112.484 171.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.3 141.73 15.51 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.416 1.484 . . . . 0.0 112.732 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -108.99 -7.66 15.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.276 1.43 . . . . 0.0 113.243 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 14.58 69.58 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.789 1.185 . . . . 0.0 113.644 -170.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 128.145 2.578 . . . . 0.0 111.29 -176.221 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -134.83 -52.59 0.8 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.973 0.909 . . . . 0.0 112.602 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 24.8 m -96.49 -0.61 48.76 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.363 1.065 . . . . 0.0 113.274 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.79 154.08 24.97 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.514 1.531 . . . . 0.0 112.318 -170.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -119.03 -178.06 3.48 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.025 1.33 . . . . 0.0 110.742 174.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 27.8 p -74.71 -74.41 0.2 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.741 -1.224 . . . . 0.0 111.963 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.58 -66.0 1.36 Allowed Glycine 0 C--N 1.338 0.652 0 C-N-CA 126.884 2.183 . . . . 0.0 111.115 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.8 -44.11 90.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.952 1.301 . . . . 0.0 112.514 -174.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.17 -23.03 65.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.223 1.009 . . . . 0.0 112.822 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.22 -31.54 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.445 1.098 . . . . 0.0 110.746 174.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.02 -48.18 77.36 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.653 -0.654 . . . . 0.0 110.166 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.59 -43.68 84.24 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.509 -171.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -61.89 -36.38 81.12 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.482 0.583 . . . . 0.0 112.033 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.47 -40.29 67.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.795 0.838 . . . . 0.0 112.854 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -69.39 -43.44 73.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.645 1.578 . . . . 0.0 111.523 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -57.97 -37.84 74.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.42 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.36 -22.44 62.77 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -81.77 -27.58 33.68 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.343 0.974 . . . . 0.0 111.896 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.59 -30.53 70.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.703 1.138 . . . . 0.0 111.285 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.7 -22.1 61.69 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.26 -13.69 61.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.081 0.855 . . . . 0.0 112.623 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -94.0 0.19 55.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.123 1.369 . . . . 0.0 113.13 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.09 78.05 1.68 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.909 2.083 . . . . 0.0 109.811 173.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 79.5 p -82.21 -7.96 59.63 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.187 1.395 . . . . 0.0 114.28 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.45 -10.55 67.8 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.944 1.735 . . . . 0.0 113.746 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 59.64 27.52 16.76 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.494 1.917 . . . . 0.0 113.191 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.63 -35.02 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.512 1.525 . . . . 0.0 111.725 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -112.19 -16.82 12.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.625 1.57 . . . . 0.0 112.231 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -59.02 -20.73 55.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.093 1.357 . . . . 0.0 114.104 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -129.72 154.49 80.98 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 125.906 1.682 . . . . 0.0 111.456 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -65.91 143.58 73.51 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 124.384 3.389 . . . . 0.0 112.018 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.88 124.5 64.91 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.485 0.714 . . . . 0.0 110.54 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.84 113.22 3.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.354 2.703 . . . . 0.0 110.911 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.77 -23.31 63.35 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.063 0.545 . . . . 0.0 112.386 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -61.58 -18.49 59.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.916 1.287 . . . . 0.0 113.97 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -121.37 5.56 10.19 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.271 1.428 . . . . 0.0 113.695 170.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.96 78.7 11.4 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.493 1.517 . . . . 0.0 109.712 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.9 -12.16 17.94 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.118 2.546 . . . . 0.0 113.494 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -104.16 6.2 35.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.478 1.511 . . . . 0.0 113.314 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -55.84 -44.33 77.89 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.964 -1.085 . . . . 0.0 112.147 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.72 -18.07 59.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.337 1.455 . . . . 0.0 113.19 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.31 -20.46 25.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.893 1.277 . . . . 0.0 113.069 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -105.22 -25.56 12.4 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.369 1.068 . . . . 0.0 113.333 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.59 124.05 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.007 1.323 . . . . 0.0 110.365 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.17 -30.12 48.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.477 1.111 . . . . 0.0 113.387 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -137.21 69.52 55.71 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.929 1.692 . . . . 0.0 111.4 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.0 130.64 16.94 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.635 2.89 . . . . 0.0 111.415 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 16.7 ttt -162.6 150.93 14.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.997 1.319 . . . . 0.0 112.618 -170.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -147.3 174.96 11.15 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.748 2.419 . . . . 0.0 110.859 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -59.96 -23.64 63.74 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.99 -38.93 89.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.18 0.9 . . . . 0.0 111.378 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 42.0 m -67.76 -35.98 79.68 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.979 1.312 . . . . 0.0 111.666 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 55.5 mmm -56.95 -53.83 53.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.397 0.679 . . . . 0.0 110.628 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.29 -42.18 86.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -65.51 -45.18 84.51 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.762 0.825 . . . . 0.0 112.286 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -58.45 -40.63 83.16 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.56 0.744 . . . . 0.0 111.824 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.06 -41.74 70.34 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.26 -0.9 . . . . 0.0 112.314 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.4 -12.15 59.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 0.0 113.349 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.7 7.69 32.68 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.095 1.758 . . . . 0.0 113.021 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 65.08 22.83 12.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.756 2.022 . . . . 0.0 114.2 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -68.83 -20.86 64.31 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.223 1.009 . . . . 0.0 113.279 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -87.01 104.02 15.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.877 1.271 . . . . 0.0 111.47 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 59.8 mt -99.24 -19.52 17.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.223 1.409 . . . . 0.0 113.352 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -140.48 150.04 43.28 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.592 1.957 . . . . 0.0 110.313 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -66.25 -27.7 68.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.109 0.564 . . . . 0.0 112.452 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -44.35 76.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.993 1.317 . . . . 0.0 112.508 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -73.18 -33.66 65.55 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 0.0 112.615 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -67.18 -37.33 83.53 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.708 0.803 . . . . 0.0 111.513 174.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.65 -44.17 64.8 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.511 1.124 . . . . 0.0 111.443 173.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.89 -1.131 . . . . 0.0 113.146 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -74.47 -23.64 58.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.479 -0.763 . . . . 0.0 112.391 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -69.62 -44.01 71.53 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.974 . . . . 0.0 109.421 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -58.57 -32.83 69.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.549 0.74 . . . . 0.0 112.401 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.91 -43.67 98.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.999 0.92 . . . . 0.0 111.982 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.727 0.811 . . . . 0.0 110.841 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.68 -55.55 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.823 0.849 . . . . 0.0 110.696 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.8 p -67.33 -27.04 66.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.39 -23.17 66.28 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.103 -0.998 . . . . 0.0 113.193 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.75 -53.21 8.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.774 0.715 . . . . 0.0 110.282 169.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 76.9 mt -56.46 -26.66 54.67 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.762 1.625 . . . . 0.0 113.302 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -87.24 -13.34 44.07 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.87 1.668 . . . . 0.0 114.301 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -138.29 70.03 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.685 1.594 . . . . 0.0 112.273 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.76 176.24 9.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.779 1.631 . . . . 0.0 112.247 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -114.62 162.69 16.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.095 1.358 . . . . 0.0 111.277 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.93 -0.19 2.17 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -137.13 6.42 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 51.9 p -84.36 158.63 21.08 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.085 0.857 . . . . 0.0 112.252 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.7 tt -58.41 -41.93 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 111.419 170.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.27 -38.26 81.54 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.704 1.202 . . . . 0.0 112.335 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.85 -51.8 68.1 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.176 0.99 . . . . 0.0 111.262 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -71.55 -28.7 64.03 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.588 0.755 . . . . 0.0 112.804 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.56 91.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.411 1.005 . . . . 0.0 112.344 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.75 80.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.4 0.68 . . . . 0.0 112.363 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.9 -42.27 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.192 0.597 . . . . 0.0 110.741 171.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.34 -33.31 74.97 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.558 -0.714 . . . . 0.0 112.833 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.54 -46.88 83.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.614 0.766 . . . . 0.0 111.282 169.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -59.28 -31.28 68.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.139 0.975 . . . . 0.0 113.129 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -81.13 -67.7 0.75 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.788 1.235 . . . . 0.0 111.757 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.32 -42.65 71.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.75 -10.29 86.32 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.607 0.64 . . . . 0.0 113.239 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.8 -36.39 92.16 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 118.139 0.97 . . . . 0.0 111.234 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.19 87.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.703 0.752 . . . . 0.0 111.695 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.75 -36.55 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.684 0.793 . . . . 0.0 111.632 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.38 -40.26 70.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.937 0.895 . . . . 0.0 111.551 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -67.61 -47.42 69.71 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.85 -35.33 80.28 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.015 0.926 . . . . 0.0 111.795 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.31 -25.84 23.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.867 0.867 . . . . 0.0 112.271 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -62.56 -32.3 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.92 1.288 . . . . 0.0 112.519 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -28.72 69.51 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.246 -0.909 . . . . 0.0 113.167 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -72.07 -21.1 61.56 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.54 1.136 . . . . 0.0 112.726 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.99 -43.22 11.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.21 1.004 . . . . 0.0 111.993 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.03 -34.08 75.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.857 0.863 . . . . 0.0 113.316 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -21.08 66.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 18.7 ptt? -113.75 -12.1 12.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.702 1.601 . . . . 0.0 114.584 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.55 -11.93 85.0 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.227 1.394 . . . . 0.0 113.631 173.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 74.3 m -137.42 146.27 44.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.446 1.898 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -77.56 166.8 53.58 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 123.968 0.794 . . . . 0.0 113.83 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.32 141.02 41.9 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.903 3.069 . . . . 0.0 111.049 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 56.7 p -84.84 -15.86 43.29 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 7.4 t -170.74 174.46 4.92 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.841 2.056 . . . . 0.0 110.907 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 C-N-CA 125.742 1.639 . . . . 0.0 112.858 178.241 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 119.451 -0.309 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.34 153.77 8.68 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.834 1.206 . . . . 0.0 113.06 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -107.32 60.86 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.861 1.265 . . . . 0.0 111.361 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.43 -20.47 46.31 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 125.916 1.722 . . . . 0.0 114.711 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.56 131.53 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 128.497 2.951 . . . . 0.0 112.117 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.8 155.12 27.5 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.816 1.198 . . . . 0.0 113.238 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -165.41 -42.35 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.184 1.393 . . . . 0.0 113.804 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.86 147.99 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.37 1.462 . . . . 0.0 112.755 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.716 1.606 . . . . 0.0 111.29 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.458 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 63.3 m -143.83 117.11 9.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.278 1.031 . . . . 0.0 111.137 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.4 t -71.2 -16.96 62.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.9 6.45 70.5 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.681 1.61 . . . . 0.0 115.117 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -121.69 127.01 50.29 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.037 1.418 . . . . 0.0 111.544 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -95.45 -11.86 26.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.948 0.899 . . . . 0.0 113.196 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.56 -23.98 67.41 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 121.388 -0.82 . . . . 0.0 111.61 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -66.69 -35.51 80.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.374 1.47 . . . . 0.0 112.22 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.91 -31.37 67.97 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.869 0.759 . . . . 0.0 111.3 -177.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.43 -35.82 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.601 1.161 . . . . 0.0 111.541 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.06 -39.33 74.69 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.931 0.892 . . . . 0.0 111.355 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.14 -35.18 71.61 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.963 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -60.0 -51.84 67.94 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.56 0.695 . . . . 0.0 110.258 170.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -62.41 -31.26 71.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.057 1.343 . . . . 0.0 112.749 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -78.06 -51.44 10.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.987 1.315 . . . . 0.0 110.985 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.39 -38.26 76.97 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.061 0.944 . . . . 0.0 112.855 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.24 -24.01 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.431 0.692 . . . . 0.0 112.776 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -83.14 -24.89 32.36 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.118 -0.989 . . . . 0.0 113.33 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.63 -24.15 65.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.481 1.491 . . . . 0.0 112.209 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -70.0 -20.98 63.26 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.375 -0.828 . . . . 0.0 112.514 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.16 2.34 18.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.516 1.126 . . . . 0.0 112.472 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -115.97 -1.52 12.51 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.06 1.744 . . . . 0.0 113.376 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -122.45 88.6 2.96 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.841 1.657 . . . . 0.0 109.946 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.5 t -89.42 -3.24 58.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.942 1.297 . . . . 0.0 114.122 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.98 -12.43 55.34 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.36 1.457 . . . . 0.0 114.102 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 60.48 22.85 12.5 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.792 2.037 . . . . 0.0 113.698 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.87 -28.71 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.094 1.358 . . . . 0.0 111.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -116.7 -16.66 10.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.893 1.677 . . . . 0.0 111.946 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.6 m -57.07 -26.05 59.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.329 1.052 . . . . 0.0 113.833 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.75 149.01 70.76 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 125.828 1.651 . . . . 0.0 112.599 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.79 148.81 86.94 Favored 'Trans proline' 0 C--N 1.351 0.675 1 C-N-CA 125.481 4.121 . . . . 0.0 112.826 -172.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.91 127.55 91.84 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.389 1.076 . . . . 0.0 109.908 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.56 107.25 2.41 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.018 2.479 . . . . 0.0 110.427 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.8 -23.19 63.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -61.72 -18.81 61.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.11 1.364 . . . . 0.0 113.917 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.98 6.01 7.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.171 1.388 . . . . 0.0 113.587 171.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.614 HG11 ' HH ' ' B' ' 122' ' ' TYR . 21.9 t -145.5 68.15 13.21 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 126.591 1.957 . . . . 0.0 108.861 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.66 -17.31 18.25 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.971 2.447 . . . . 0.0 112.558 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -92.18 6.48 46.47 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.603 1.561 . . . . 0.0 113.429 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -54.41 -47.42 72.79 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.371 -0.831 . . . . 0.0 111.747 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.28 -19.67 59.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.785 1.234 . . . . 0.0 113.487 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.02 -18.04 58.42 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.917 0.887 . . . . 0.0 112.898 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -105.85 -27.74 11.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.314 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -115.49 107.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.772 1.629 . . . . 0.0 110.433 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -77.97 -27.16 49.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -126.33 77.23 72.62 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.657 1.583 . . . . 0.0 111.244 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.6 156.19 44.83 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.195 2.597 . . . . 0.0 111.562 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.05 166.1 32.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.929 1.692 . . . . 0.0 112.205 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.48 158.88 21.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.244 1.818 . . . . 0.0 111.036 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.07 -35.29 64.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.324 0.65 . . . . 0.0 112.598 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.96 -43.23 93.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.646 0.657 . . . . 0.0 111.657 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -62.7 -43.08 99.72 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.839 0.856 . . . . 0.0 111.104 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 87.9 mtp -62.63 -46.04 90.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.513 0.597 . . . . 0.0 111.716 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.83 -42.27 88.86 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.549 -0.72 . . . . 0.0 112.578 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -64.55 -45.37 87.38 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.427 1.091 . . . . 0.0 111.971 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -61.52 -39.85 92.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.461 0.705 . . . . 0.0 112.136 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.7 -41.99 78.38 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.144 -0.972 . . . . 0.0 111.797 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.78 -10.68 58.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.965 0.906 . . . . 0.0 113.255 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.92 4.93 43.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.998 1.719 . . . . 0.0 113.065 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 64.66 27.9 13.16 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.795 2.038 . . . . 0.0 113.613 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -74.98 -15.23 60.67 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.053 1.341 . . . . 0.0 113.401 -171.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -98.0 104.55 16.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.089 1.355 . . . . 0.0 111.13 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.55 -10.03 22.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.927 1.291 . . . . 0.0 113.103 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -145.79 149.39 34.27 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.691 1.996 . . . . 0.0 109.599 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -66.28 -27.52 68.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.02 0.528 . . . . 0.0 112.191 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.56 -43.74 89.47 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.885 1.274 . . . . 0.0 113.051 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -72.32 -35.68 68.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.074 0.852 . . . . 0.0 112.303 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.16 -39.42 86.47 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.188 0.995 . . . . 0.0 111.474 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.6 -41.16 79.98 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.039 1.335 . . . . 0.0 111.331 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.49 -34.02 75.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.146 0.979 . . . . 0.0 113.52 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.59 -30.83 69.66 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.53 -43.05 77.59 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.593 -0.692 . . . . 0.0 110.882 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.28 -35.45 73.77 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.852 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.86 -42.64 99.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.14 0.882 . . . . 0.0 111.337 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.19 -46.09 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.046 0.938 . . . . 0.0 111.301 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.46 -57.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.44 0.696 . . . . 0.0 110.29 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -64.1 -27.96 69.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.9 -22.78 64.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.418 1.008 . . . . 0.0 112.639 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.47 -45.84 24.37 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.437 -0.789 . . . . 0.0 110.04 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.93 -25.77 68.49 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.193 . . . . 0.0 113.024 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -84.68 -14.76 47.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.971 1.708 . . . . 0.0 113.948 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.614 ' HH ' HG11 ' B' ' 77' ' ' VAL . 84.1 t80 -147.85 86.51 1.58 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.979 1.312 . . . . 0.0 111.747 -174.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -165.0 -168.82 1.52 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.892 2.077 . . . . 0.0 110.945 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -133.89 156.44 48.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.293 1.437 . . . . 0.0 109.393 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.6 23.14 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.721 2.008 . . . . 0.0 116.362 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -156.36 11.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.51 1.924 . . . . 0.0 113.956 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 19.7 p -83.81 156.92 22.24 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.885 -1.135 . . . . 0.0 112.065 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 16.6 tt -68.78 -38.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 111.88 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -72.04 -33.44 67.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.238 1.015 . . . . 0.0 113.332 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -57.17 -48.35 78.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.955 0.902 . . . . 0.0 111.029 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.08 -26.31 56.37 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.7 74.25 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.338 -0.851 . . . . 0.0 112.66 171.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.29 71.54 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.434 -0.791 . . . . 0.0 112.739 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.21 -39.55 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.829 0.852 . . . . 0.0 110.767 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -57.87 -48.61 79.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.764 0.826 . . . . 0.0 111.837 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.91 -43.36 98.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.941 0.897 . . . . 0.0 112.496 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -56.67 -33.76 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.746 0.819 . . . . 0.0 113.028 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -88.03 -62.8 1.41 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.782 1.233 . . . . 0.0 111.127 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -67.63 -45.8 74.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.149 0.58 . . . . 0.0 112.286 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.54 -11.25 77.99 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.544 -0.587 . . . . 0.0 113.439 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.63 90.4 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.425 1.112 . . . . 0.0 110.748 169.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.34 92.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.635 0.774 . . . . 0.0 111.695 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.76 -38.62 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.202 1.001 . . . . 0.0 111.623 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.6 mt -69.74 -40.5 76.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.579 0.752 . . . . 0.0 111.403 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -65.11 -50.17 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -65.7 -32.52 74.12 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.244 1.018 . . . . 0.0 112.247 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.73 21.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.571 0.749 . . . . 0.0 111.56 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.72 -29.58 70.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.145 1.378 . . . . 0.0 111.974 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -54.61 -32.48 58.86 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.18 0.992 . . . . 0.0 113.402 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -72.52 -22.0 61.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.543 1.137 . . . . 0.0 112.809 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.41 11.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.908 1.283 . . . . 0.0 112.03 170.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.38 -31.12 72.2 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -22.85 67.08 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -110.75 -15.16 13.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.711 1.604 . . . . 0.0 113.946 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.2 86.14 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.548 1.547 . . . . 0.0 113.669 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 19.5 t -121.68 144.59 48.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.255 1.822 . . . . 0.0 110.742 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -143.92 -166.98 11.61 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.41 140.29 52.2 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.612 2.874 . . . . 0.0 110.979 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 27.1 t -168.32 -46.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.215 1.406 . . . . 0.0 111.261 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 57.1 m -98.37 146.02 26.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.889 1.276 . . . . 0.0 111.418 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.272 -1.293 . . . . 0.0 113.039 -179.055 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.84 0.352 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.39 140.5 4.1 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.715 1.15 . . . . 0.0 112.907 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -81.31 -31.94 33.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.935 0.894 . . . . 0.0 112.985 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -0.52 85.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.418 1.485 . . . . 0.0 115.865 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.03 149.83 5.97 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 127.869 2.652 . . . . 0.0 111.514 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.68 144.0 30.9 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 123.98 0.8 . . . . 0.0 112.111 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.63 119.93 17.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.59 0.756 . . . . 0.0 111.632 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.44 23.86 34.55 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 126.006 1.765 . . . . 0.0 114.172 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.595 1.958 . . . . 0.0 112.685 -169.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 69.8 13.48 8.06 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.169 1.788 . . . . 0.0 114.734 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -66.83 136.19 55.05 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.74 -1.225 . . . . 0.0 111.879 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.6 -109.71 0.56 Allowed Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.505 1.05 . . . . 0.0 111.466 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.1 m -73.26 -15.06 61.43 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m 55.0 57.69 5.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.129 1.771 . . . . 0.0 114.546 170.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.95 79.19 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.039 1.305 . . . . 0.0 113.531 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.93 -38.08 81.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.658 1.183 . . . . 0.0 112.719 172.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.45 -17.46 60.14 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.079 0.951 . . . . 0.0 112.96 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 71.0 mt -76.81 -27.19 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.473 1.109 . . . . 0.0 111.154 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.18 -52.64 53.65 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.529 -0.732 . . . . 0.0 109.882 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.0 -41.45 99.58 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.186 0.594 . . . . 0.0 111.941 -170.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.181 0.446 . . . . 0.0 111.961 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -71.41 -29.32 64.78 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.6 m -72.76 -49.97 27.52 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.169 0.987 . . . . 0.0 110.676 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.15 -39.54 82.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.745 0.818 . . . . 0.0 112.397 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -63.04 -29.02 70.49 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.05 -34.24 43.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.687 1.131 . . . . 0.0 112.112 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.19 -31.93 72.51 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.827 1.194 . . . . 0.0 111.475 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.09 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -88.32 -13.59 40.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.195 0.998 . . . . 0.0 113.01 171.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -80.11 -20.44 45.03 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.714 -1.241 . . . . 0.0 113.171 173.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -100.3 84.29 2.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.433 1.493 . . . . 0.0 110.475 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -86.43 -5.46 59.15 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.788 1.235 . . . . 0.0 114.078 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.94 -12.15 62.48 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.298 1.428 . . . . 0.0 113.739 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 61.68 24.71 14.76 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.658 1.983 . . . . 0.0 113.175 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.64 -32.87 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.167 1.387 . . . . 0.0 112.133 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.29 -20.94 11.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.587 1.555 . . . . 0.0 112.271 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -57.62 -21.81 41.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.097 1.359 . . . . 0.0 114.134 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -132.47 155.47 81.22 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.203 1.801 . . . . 0.0 112.022 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.45 146.21 67.56 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.749 3.633 . . . . 0.0 112.231 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.64 125.9 89.15 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.089 0.956 . . . . 0.0 109.269 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 129.02 13.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.293 2.662 . . . . 0.0 111.893 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.39 -14.5 62.19 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.927 0.891 . . . . 0.0 113.028 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -69.97 -31.71 69.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.526 0.73 . . . . 0.0 112.004 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -88.56 -34.94 17.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.931 0.892 . . . . 0.0 112.031 172.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 t -128.89 79.36 74.69 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.75 1.22 . . . . 0.0 110.395 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.09 -16.22 15.9 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 123.262 2.641 . . . . 0.0 113.259 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -93.72 1.3 56.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.423 1.089 . . . . 0.0 113.115 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -55.68 -41.56 73.89 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.208 1.003 . . . . 0.0 112.512 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 mt -75.29 -19.61 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.194 1.397 . . . . 0.0 113.324 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.75 -19.54 28.96 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.743 1.217 . . . . 0.0 112.853 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -102.63 -28.6 12.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.637 1.175 . . . . 0.0 112.876 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.4 mm -114.57 120.81 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.626 1.57 . . . . 0.0 110.033 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -80.57 -26.39 37.97 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -130.92 63.59 70.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.886 1.674 . . . . 0.0 111.674 -177.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.94 129.19 16.99 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.615 2.876 . . . . 0.0 110.834 -172.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 17.5 ttt -161.87 154.98 20.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.745 1.218 . . . . 0.0 112.471 -169.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -151.43 179.15 8.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.826 2.05 . . . . 0.0 111.833 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.98 -32.57 66.21 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.31 -39.48 94.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.38 0.991 . . . . 0.0 111.471 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.1 m -66.19 -40.83 90.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.201 1.0 . . . . 0.0 111.325 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 80.4 mtp -60.5 -49.14 78.75 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.42 0.555 . . . . 0.0 111.519 171.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -59.01 -42.34 89.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.035 0.934 . . . . 0.0 112.498 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.97 -47.05 78.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.462 1.105 . . . . 0.0 111.906 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.71 -35.76 78.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.072 0.549 . . . . 0.0 112.244 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.94 -43.87 56.85 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.408 1.083 . . . . 0.0 111.913 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.63 -16.82 64.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.031 0.933 . . . . 0.0 113.389 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 -5.71 28.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.465 1.506 . . . . 0.0 113.369 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 74.34 37.1 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.315 2.646 . . . . 0.0 114.372 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -80.66 -15.47 56.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.659 1.183 . . . . 0.0 113.447 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -89.17 104.27 16.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.175 0.99 . . . . 0.0 111.407 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.34 -1.86 24.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.478 1.511 . . . . 0.0 112.886 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -145.1 139.34 27.27 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.07 1.748 . . . . 0.0 109.391 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -64.04 -25.37 68.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.735 0.814 . . . . 0.0 111.825 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -62.28 -40.24 95.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.36 1.064 . . . . 0.0 112.712 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.04 -36.04 56.37 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.706 0.802 . . . . 0.0 112.039 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -64.31 -39.15 93.34 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.578 1.151 . . . . 0.0 111.906 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.32 -41.06 70.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.645 1.178 . . . . 0.0 111.658 174.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -64.92 -36.18 83.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.039 -1.038 . . . . 0.0 113.339 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -71.38 -22.87 61.82 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.82 -43.37 65.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.389 0.995 . . . . 0.0 109.808 169.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -59.0 -32.42 69.68 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.609 0.763 . . . . 0.0 112.262 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.67 -41.35 99.03 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.903 0.881 . . . . 0.0 112.154 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.01 -43.82 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.536 -0.727 . . . . 0.0 110.621 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.77 -53.98 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.843 0.857 . . . . 0.0 110.673 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -66.29 -35.5 80.56 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.15 -30.72 70.56 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.996 173.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 46.3 t -73.52 -47.99 36.66 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.551 0.614 . . . . 0.0 111.435 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.5 -27.52 67.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.348 1.059 . . . . 0.0 112.428 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -73.69 -19.69 60.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.267 1.427 . . . . 0.0 114.284 171.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -126.39 56.76 1.44 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.97 1.708 . . . . 0.0 112.376 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.454 ' ND2' ' HG1' ' B' ' 127' ' ' THR . 1.9 m120 -166.73 152.23 8.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.49 1.516 . . . . 0.0 112.068 173.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.53 157.11 22.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.341 1.056 . . . . 0.0 109.754 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -64.7 -11.29 34.3 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -172.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -109.48 1.08 19.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.667 1.587 . . . . 0.0 114.335 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' THR . . . . . 0.454 ' HG1' ' ND2' ' B' ' 123' ' ' ASN . 25.4 p -85.95 158.59 19.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.279 0.945 . . . . 0.0 112.435 -175.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.3 tt -60.41 -42.0 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.945 0.898 . . . . 0.0 111.492 170.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -69.03 -36.45 77.76 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.734 1.213 . . . . 0.0 112.333 -172.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.84 -52.86 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.646 0.778 . . . . 0.0 110.571 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -37.35 87.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.695 1.198 . . . . 0.0 111.465 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.79 -34.88 71.98 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.102 0.865 . . . . 0.0 112.942 175.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.07 68.56 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.565 -0.709 . . . . 0.0 112.686 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.9 -41.67 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.481 0.582 . . . . 0.0 110.316 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -37.65 88.33 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.35 1.06 . . . . 0.0 112.195 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.38 -45.57 90.48 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.882 0.873 . . . . 0.0 111.931 169.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -57.17 -34.44 68.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.87 0.868 . . . . 0.0 112.834 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -83.48 -65.27 1.03 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.292 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.71 -44.14 74.52 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.61 -16.86 72.21 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 118.499 0.59 . . . . 0.0 113.251 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.65 87.82 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 118.158 0.979 . . . . 0.0 110.847 169.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.34 92.51 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.417 0.687 . . . . 0.0 111.892 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.92 -38.95 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.106 0.963 . . . . 0.0 111.397 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.23 -39.59 71.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.637 0.775 . . . . 0.0 111.256 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -64.93 -48.52 73.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.232 1.013 . . . . 0.0 112.487 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.03 -32.02 73.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.765 0.826 . . . . 0.0 112.285 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.03 -22.61 19.04 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.263 1.025 . . . . 0.0 112.93 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -60.02 -32.75 71.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.198 0.999 . . . . 0.0 111.801 169.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -57.64 -30.41 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.793 1.237 . . . . 0.0 113.482 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -71.11 -25.11 62.45 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 112.26 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.15 -43.9 11.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.935 1.294 . . . . 0.0 111.921 170.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -31.03 71.78 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -23.86 66.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -109.33 -16.42 14.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.612 1.565 . . . . 0.0 114.015 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.65 11.81 68.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 126.249 1.88 . . . . 0.0 114.032 174.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 33.5 p -69.95 157.7 36.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.869 1.668 . . . . 0.0 113.835 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -161.45 -171.78 27.95 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.48 1.514 . . . . 0.0 113.249 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -69.25 138.74 40.19 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.479 2.786 . . . . 0.0 110.906 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 9.4 t -74.6 -24.38 58.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 64.0 p -167.96 147.15 4.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.531 1.932 . . . . 0.0 111.165 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 C-N-CA 125.118 1.342 . . . . 0.0 112.891 179.169 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.322 0.106 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.33 30.05 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 124.812 1.196 . . . . 0.0 113.634 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -59.96 -40.63 89.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.657 1.183 . . . . 0.0 113.527 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.77 -24.46 76.32 Favored Glycine 0 N--CA 1.473 1.148 0 O-C-N 121.645 -0.659 . . . . 0.0 113.947 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.95 19.68 0.02 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 117.375 1.71 . . . . 0.0 117.375 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.48 -122.12 7.7 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.229 1.514 . . . . 0.0 111.577 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -155.79 131.9 10.03 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.474 1.109 . . . . 0.0 112.024 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.57 177.37 16.8 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.014 1.769 . . . . 0.0 113.096 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.751 1.62 . . . . 0.0 111.408 175.651 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.6 p -163.96 150.5 11.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.294 1.438 . . . . 0.0 111.476 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t 71.6 -1.29 2.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.246 1.819 . . . . 0.0 114.431 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.25 -108.52 1.7 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 126.238 1.875 . . . . 0.0 111.522 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -72.76 -16.26 61.64 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -108.04 103.45 12.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.841 1.656 . . . . 0.0 111.638 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.06 -34.97 1.4 Allowed Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.922 1.249 . . . . 0.0 113.423 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.14 -39.85 83.65 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.414 1.086 . . . . 0.0 112.695 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.0 -22.17 64.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.739 0.816 . . . . 0.0 112.752 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.39 -34.52 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.064 0.946 . . . . 0.0 110.517 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.86 -46.17 91.64 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.875 -0.516 . . . . 0.0 110.194 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.88 -45.75 70.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.909 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -64.75 -32.98 74.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.619 0.645 . . . . 0.0 112.529 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -77.26 -22.63 51.86 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.7 m -87.75 -38.06 16.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.644 1.178 . . . . 0.0 112.217 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.59 -40.95 76.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.546 1.066 . . . . 0.0 112.902 -176.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.35 -29.71 70.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 174.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.35 -15.95 60.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.422 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.97 -37.3 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.591 1.087 . . . . 0.0 109.546 169.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -66.13 -32.03 73.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.665 0.786 . . . . 0.0 112.375 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.04 -15.08 63.5 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -85.74 -6.83 59.07 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.6 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -109.63 78.1 1.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.479 1.912 . . . . 0.0 110.156 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -82.45 -7.18 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.055 1.342 . . . . 0.0 114.09 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.42 65.08 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.122 1.82 . . . . 0.0 113.889 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 62.4 26.35 15.72 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.457 1.903 . . . . 0.0 113.356 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.0 mt -74.26 -31.74 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.939 1.695 . . . . 0.0 112.25 -173.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -113.47 -16.16 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.824 1.65 . . . . 0.0 112.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -61.12 -23.96 65.9 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.85 1.26 . . . . 0.0 113.744 170.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.52 152.13 79.45 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.699 1.6 . . . . 0.0 112.066 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.88 151.76 68.47 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.861 3.707 . . . . 0.0 112.996 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.55 124.97 86.36 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 124.369 1.068 . . . . 0.0 109.766 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.44 117.19 4.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.282 2.655 . . . . 0.0 110.837 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.4 mt -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.6 m -69.8 -26.91 64.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.02 0.928 . . . . 0.0 112.429 170.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -92.62 -35.19 13.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.268 1.027 . . . . 0.0 111.84 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.11 82.44 66.1 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.981 1.312 . . . . 0.0 110.556 -176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.32 -12.69 18.95 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.283 2.655 . . . . 0.0 112.849 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -99.45 13.1 34.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.811 1.644 . . . . 0.0 112.912 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.88 -41.15 81.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.797 -1.189 . . . . 0.0 112.148 -176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.27 -18.96 59.96 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.211 1.404 . . . . 0.0 113.405 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.24 -27.43 59.49 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.063 0.945 . . . . 0.0 112.399 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -94.72 -33.74 12.81 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.067 0.947 . . . . 0.0 112.806 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.0 mm -118.56 113.01 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.195 1.398 . . . . 0.0 111.25 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -76.15 -27.66 57.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -133.45 81.61 54.39 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 125.009 1.323 . . . . 0.0 111.462 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.63 150.08 21.43 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.048 3.165 . . . . 0.0 111.491 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 41.9 ttm -164.83 157.13 16.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.067 1.347 . . . . 0.0 113.126 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -151.37 170.21 20.1 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.534 2.334 . . . . 0.0 110.571 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.33 -26.14 67.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.11 -41.57 90.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.125 0.57 . . . . 0.0 111.601 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 94.9 m -65.24 -41.09 94.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.95 0.9 . . . . 0.0 111.061 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.0 mmm -59.57 -49.91 75.92 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.462 0.574 . . . . 0.0 111.202 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.56 -44.9 81.38 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.6 -44.08 91.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.685 0.794 . . . . 0.0 111.744 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.87 -39.25 88.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.955 0.902 . . . . 0.0 112.012 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.24 -43.69 70.06 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.841 -1.162 . . . . 0.0 111.699 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.15 -11.04 60.44 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.221 1.008 . . . . 0.0 113.127 174.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.71 10.87 32.66 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.476 1.91 . . . . 0.0 112.901 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 63.44 22.93 13.47 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.128 1.771 . . . . 0.0 113.923 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.39 -27.01 64.94 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.298 1.039 . . . . 0.0 113.247 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -90.53 106.72 18.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.48 1.112 . . . . 0.0 111.306 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.28 -22.68 13.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.888 1.275 . . . . 0.0 112.829 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.56 150.65 51.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.514 1.926 . . . . 0.0 109.618 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.29 -24.37 66.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.835 0.454 . . . . 0.0 112.16 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.72 -44.48 73.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.164 1.385 . . . . 0.0 112.547 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 -33.07 64.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.644 0.778 . . . . 0.0 112.414 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -69.12 -35.7 76.71 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.088 0.955 . . . . 0.0 111.518 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.44 -36.09 63.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.339 1.455 . . . . 0.0 112.056 174.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -78.35 -31.97 48.84 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.07 -29.95 65.96 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.635 -0.665 . . . . 0.0 111.147 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -67.59 -43.45 80.49 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.072 -1.017 . . . . 0.0 110.283 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -58.21 -30.49 66.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.244 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.5 -44.79 77.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.193 0.997 . . . . 0.0 112.355 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.38 -39.9 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.988 0.915 . . . . 0.0 110.978 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.3 -60.33 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.489 0.715 . . . . 0.0 110.82 172.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 84.7 p -65.85 -36.18 82.74 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -74.91 -8.17 55.68 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.54 -47.54 8.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.405 0.682 . . . . 0.0 109.663 169.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.11 -25.29 67.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.341 1.057 . . . . 0.0 112.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -76.33 -15.43 59.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.914 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -144.03 81.1 1.67 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 111.183 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.42 169.15 4.47 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.492 1.917 . . . . 0.0 111.336 174.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 158.81 15.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.322 1.049 . . . . 0.0 111.415 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -77.56 10.14 2.85 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -128.77 9.09 5.84 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.133 1.773 . . . . 0.0 113.596 -172.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 66.9 p -105.66 162.67 13.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.911 1.284 . . . . 0.0 113.555 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -66.15 -40.56 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 111.277 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -68.51 -38.18 80.7 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.272 1.029 . . . . 0.0 112.939 -170.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.48 -49.77 72.31 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.121 0.568 . . . . 0.0 110.638 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -62.06 -33.17 73.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.599 1.16 . . . . 0.0 112.922 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.17 -35.01 78.86 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.542 1.065 . . . . 0.0 112.871 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.02 70.19 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.505 -0.747 . . . . 0.0 112.425 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.93 -40.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.108 0.563 . . . . 0.0 110.761 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -63.01 -42.83 99.92 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.884 0.874 . . . . 0.0 111.779 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.8 -45.33 92.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.233 1.013 . . . . 0.0 112.461 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -58.54 -32.89 69.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.948 0.899 . . . . 0.0 113.228 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -82.55 -63.08 1.44 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.622 1.169 . . . . 0.0 111.359 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.68 -49.85 60.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.84 0.856 . . . . 0.0 112.469 -170.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.62 -9.68 85.34 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.423 -0.654 . . . . 0.0 113.605 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.78 -33.81 88.23 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 118.399 1.1 . . . . 0.0 111.189 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.3 -41.88 72.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.849 0.86 . . . . 0.0 111.924 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.03 -38.65 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.461 1.104 . . . . 0.0 111.245 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.9 mt -71.2 -31.04 67.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.132 0.573 . . . . 0.0 111.871 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -45.84 49.73 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.047 0.839 . . . . 0.0 113.14 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.13 -23.56 67.17 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.756 1.223 . . . . 0.0 112.637 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.4 -32.02 12.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.619 0.767 . . . . 0.0 112.569 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.67 -39.27 87.82 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.467 1.107 . . . . 0.0 112.657 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -64.11 -18.29 64.26 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.87 -20.53 58.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.412 1.085 . . . . 0.0 112.712 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.99 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.931 1.292 . . . . 0.0 112.424 171.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.6 -31.93 73.23 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.432 0.693 . . . . 0.0 112.846 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -25.13 67.76 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 175.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.72 -29.49 64.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.42 1.088 . . . . 0.0 112.759 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.82 -40.8 7.47 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.918 1.247 . . . . 0.0 111.966 173.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 4.4 t 64.67 -169.53 0.2 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.206 1.803 . . . . 0.0 113.337 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 178.04 -178.86 48.56 Favored Glycine 0 CA--C 1.539 1.578 0 O-C-N 120.873 -1.142 . . . . 0.0 114.773 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.58 -177.44 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.636 3.557 . . . . 0.0 111.717 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 80.4 p -144.76 155.18 43.4 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.968 1.307 . . . . 0.0 112.545 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 70.0 m -148.49 157.0 43.19 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.56 1.544 . . . . 0.0 111.639 -171.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 124.977 1.275 . . . . 0.0 113.664 176.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 119.474 -0.298 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.62 171.63 45.09 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.31 1.433 . . . . 0.0 113.327 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -144.66 150.89 38.13 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.847 1.659 . . . . 0.0 111.333 -176.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.96 21.9 34.39 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.691 1.615 . . . . 0.0 114.685 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.89 94.54 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.381 1.943 . . . . 0.0 112.34 170.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.18 150.3 28.74 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.121 1.344 . . . . 0.0 112.819 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? 64.18 2.86 1.58 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.923 2.089 . . . . 0.0 115.325 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.29 -160.25 22.33 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 126.177 1.846 . . . . 0.0 113.393 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.737 1.615 . . . . 0.0 112.418 176.585 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -74.1 -36.23 64.23 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.249 1.019 . . . . 0.0 113.51 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t 70.79 -42.57 0.53 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.482 2.713 . . . . 0.0 114.95 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -58.71 1.23 Allowed Glycine 0 N--CA 1.47 0.918 0 C-N-CA 125.859 1.695 . . . . 0.0 112.921 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 32.7 p -88.09 152.11 22.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.822 1.249 . . . . 0.0 112.714 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 34.6 m 64.44 29.3 13.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.089 1.356 . . . . 0.0 114.61 169.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.43 -30.68 56.04 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.735 1.636 . . . . 0.0 114.673 -170.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.15 -39.69 87.23 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.353 1.077 . . . . 0.0 112.828 173.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -24.34 61.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.679 0.791 . . . . 0.0 112.038 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.6 mt -68.46 -32.1 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.578 0.751 . . . . 0.0 111.072 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.64 -43.52 96.55 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.543 -0.723 . . . . 0.0 110.421 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.59 -44.19 71.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.03 0.532 . . . . 0.0 111.681 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.32 -31.41 72.02 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.91 -37.35 62.11 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 112.368 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.3 m -73.93 -47.43 37.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.158 1.383 . . . . 0.0 111.687 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.06 -36.17 76.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.214 0.916 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -71.63 -21.5 61.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.865 0.866 . . . . 0.0 112.877 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.36 -33.02 28.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.63 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.01 -32.89 74.35 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.158 1.345 . . . . 0.0 111.864 169.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -65.99 -16.13 63.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.237 1.015 . . . . 0.0 113.161 174.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -91.42 0.33 57.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.042 1.337 . . . . 0.0 112.931 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -103.33 -4.77 23.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.167 1.387 . . . . 0.0 113.621 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -105.19 99.74 9.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.787 1.635 . . . . 0.0 109.55 170.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.1 t -96.65 -0.17 48.89 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.939 1.296 . . . . 0.0 114.427 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.97 -9.71 44.76 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.186 1.374 . . . . 0.0 114.204 170.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 m120 61.39 23.47 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.516 1.926 . . . . 0.0 112.811 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 -31.93 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.739 1.616 . . . . 0.0 112.038 -173.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -112.92 -18.04 12.34 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.803 1.641 . . . . 0.0 112.135 -177.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -53.91 -25.81 22.02 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.41 1.484 . . . . 0.0 114.042 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.98 156.46 80.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.481 1.913 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.88 146.01 76.5 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.459 3.439 . . . . 0.0 111.84 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.39 126.65 92.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 123.857 0.863 . . . . 0.0 109.705 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 111.77 3.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.195 2.597 . . . . 0.0 110.669 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.84 -22.65 64.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.007 0.523 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.49 -17.96 48.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.107 1.363 . . . . 0.0 113.949 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -123.19 7.11 9.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.236 1.414 . . . . 0.0 113.747 170.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.5 t -149.51 73.17 9.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.974 1.709 . . . . 0.0 109.418 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.27 -12.51 15.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.926 2.418 . . . . 0.0 112.906 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.79 5.2 51.06 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.305 1.442 . . . . 0.0 113.142 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.03 -41.08 77.93 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.05 -1.031 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -74.33 -20.67 60.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.148 1.379 . . . . 0.0 113.343 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.94 -15.06 45.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.819 1.248 . . . . 0.0 112.891 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -108.28 -32.16 7.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.829 1.252 . . . . 0.0 113.003 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.11 116.5 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.475 1.51 . . . . 0.0 109.759 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -77.8 -28.35 50.38 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.13 67.38 80.61 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.898 1.679 . . . . 0.0 111.06 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.62 132.27 21.63 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.728 2.952 . . . . 0.0 110.77 -171.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.02 155.25 25.04 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -169.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -156.48 177.87 10.97 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.678 2.391 . . . . 0.0 110.984 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -58.89 -28.0 65.75 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.19 -39.36 89.65 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.626 1.103 . . . . 0.0 111.613 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.4 m -65.96 -42.11 90.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 0.0 111.157 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -62.12 -46.5 88.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.765 0.711 . . . . 0.0 111.311 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.8 -44.11 81.6 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.717 -0.614 . . . . 0.0 112.352 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -65.12 -42.51 93.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.028 0.931 . . . . 0.0 112.446 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -60.02 -40.25 88.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.052 0.541 . . . . 0.0 112.019 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.12 -40.32 71.5 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.149 0.98 . . . . 0.0 111.959 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.42 -18.78 62.48 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.542 1.137 . . . . 0.0 112.999 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.93 4.3 39.94 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.059 1.744 . . . . 0.0 113.227 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 64.94 23.81 12.62 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.707 2.003 . . . . 0.0 113.717 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -69.4 -21.68 63.75 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 112.831 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 103.28 14.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.767 1.227 . . . . 0.0 110.92 173.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.21 -15.01 18.25 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.246 1.418 . . . . 0.0 113.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -140.4 143.27 35.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.296 2.238 . . . . 0.0 110.002 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -67.68 -23.77 65.34 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.15 -39.65 93.26 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.666 -0.647 . . . . 0.0 112.709 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.02 -27.96 54.76 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.318 0.963 . . . . 0.0 112.483 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.09 -38.41 78.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.597 0.759 . . . . 0.0 111.719 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.71 -36.74 67.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.823 1.249 . . . . 0.0 112.027 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.64 -31.57 62.01 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.31 -27.43 67.16 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.612 -0.68 . . . . 0.0 112.359 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -71.26 -43.61 66.88 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.895 0.77 . . . . 0.0 110.857 169.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.53 -32.02 69.94 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.687 -0.633 . . . . 0.0 112.516 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.37 -45.43 93.21 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.871 1.268 . . . . 0.0 111.833 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.97 -44.37 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.783 0.833 . . . . 0.0 110.75 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.73 -57.95 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.709 0.804 . . . . 0.0 110.494 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.1 p -65.86 -34.16 77.5 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.01 -21.11 66.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.034 -1.041 . . . . 0.0 113.752 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -74.54 -49.08 23.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.797 0.726 . . . . 0.0 110.962 171.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.11 -36.47 84.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.144 1.378 . . . . 0.0 111.72 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -67.67 -17.22 64.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.275 1.43 . . . . 0.0 114.571 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -111.11 2.28 17.79 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.99 156.22 36.82 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.565 -1.334 . . . . 0.0 111.383 -170.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.08 175.84 9.69 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.682 0.753 . . . . 0.0 111.943 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -0.81 10.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -170.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.31 17.47 0.94 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 69.8 p -84.91 158.22 20.63 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.23 -0.919 . . . . 0.0 112.458 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.64 -43.88 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.308 1.043 . . . . 0.0 112.115 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -68.75 -39.76 80.14 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.737 0.815 . . . . 0.0 111.793 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -56.71 -49.84 73.96 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.811 . . . . 0.0 110.5 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -70.94 -26.91 63.39 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.3 82.36 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.432 1.014 . . . . 0.0 112.171 170.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.55 71.32 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.485 -0.76 . . . . 0.0 112.268 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.34 -42.93 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.277 0.631 . . . . 0.0 110.603 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -62.02 -44.14 97.35 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.014 0.926 . . . . 0.0 111.82 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -58.37 -44.08 88.72 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.096 0.862 . . . . 0.0 112.217 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -57.68 -30.88 65.83 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -87.69 -62.49 1.48 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.873 1.269 . . . . 0.0 111.351 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.88 -48.09 78.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.868 0.867 . . . . 0.0 112.044 -171.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.63 -9.57 68.7 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.697 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.82 92.53 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 118.561 1.18 . . . . 0.0 110.65 169.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.12 97.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.771 0.828 . . . . 0.0 111.875 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.38 -35.73 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.478 1.111 . . . . 0.0 111.825 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.8 mt -73.31 -39.23 65.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.535 0.734 . . . . 0.0 111.5 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -68.57 -39.65 80.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.04 0.936 . . . . 0.0 113.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -72.0 -33.79 68.37 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.429 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.88 -26.57 25.55 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.749 -0.594 . . . . 0.0 111.453 -170.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -59.61 -32.18 70.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.83 1.652 . . . . 0.0 111.662 169.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -59.15 -33.22 70.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.934 0.894 . . . . 0.0 113.023 175.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.22 -20.58 61.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.839 1.256 . . . . 0.0 112.789 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.84 -40.2 13.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.151 0.98 . . . . 0.0 112.613 171.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.3 -31.4 69.85 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.05 67.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 8.8 mtm -67.75 -22.3 65.23 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.47 1.108 . . . . 0.0 112.846 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -103.11 25.89 25.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.703 2.097 . . . . 0.0 113.588 175.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 7.7 t -153.36 179.42 8.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.048 1.339 . . . . 0.0 111.981 -173.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -171.05 177.52 43.97 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.913 1.244 . . . . 0.0 114.532 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.94 171.23 18.55 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.474 3.449 . . . . 0.0 112.076 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 67.2 m -124.2 130.63 52.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.086 1.354 . . . . 0.0 110.802 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 3.6 t 67.07 -171.48 0.19 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.948 1.699 . . . . 0.0 113.155 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.468 1.509 . . . . 0.0 112.825 -179.117 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.265 0.078 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.46 30.25 0.28 Allowed Glycine 0 N--CA 1.476 1.362 0 N-CA-C 115.472 0.949 . . . . 0.0 115.472 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? 60.1 70.79 0.61 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.547 1.939 . . . . 0.0 111.459 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.43 -164.65 53.5 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.568 1.08 . . . . 0.0 112.059 -176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 148.91 7.71 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 126.552 2.025 . . . . 0.0 112.283 175.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.55 109.86 3.37 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 124.186 0.898 . . . . 0.0 111.212 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -83.96 171.44 12.99 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.631 1.172 . . . . 0.0 112.03 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.06 157.67 46.17 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.206 0.907 . . . . 0.0 112.141 169.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.331 0 C-N-CA 125.985 1.714 . . . . 0.0 111.81 -169.883 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.442 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m 72.92 165.25 0.29 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.111 2.165 . . . . 0.0 113.391 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -138.17 121.31 16.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.693 1.197 . . . . 0.0 109.945 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 -129.18 14.21 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.993 0.806 . . . . 0.0 111.928 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 74.6 m -138.01 174.39 10.61 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.136 1.774 . . . . 0.0 111.078 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 21.6 t -151.73 158.6 43.59 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.778 -1.201 . . . . 0.0 111.343 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.09 92.92 Favored Glycine 0 N--CA 1.47 0.961 0 O-C-N 121.274 -0.891 . . . . 0.0 112.752 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.52 -38.8 85.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.244 1.018 . . . . 0.0 112.402 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -22.06 61.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.702 1.201 . . . . 0.0 112.446 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.29 -38.74 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.91 0.884 . . . . 0.0 111.524 171.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.21 -45.09 65.09 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.938 0.79 . . . . 0.0 110.758 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.42 -27.13 68.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.502 0.721 . . . . 0.0 112.362 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -68.02 -50.55 54.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.085 0.857 . . . . 0.0 110.214 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.86 -39.93 86.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.68 1.192 . . . . 0.0 111.964 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -70.33 -49.38 49.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.809 1.244 . . . . 0.0 111.633 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.1 -37.68 80.7 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.614 1.097 . . . . 0.0 112.349 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.69 -19.43 64.38 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -88.9 -29.55 19.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.0 0.92 . . . . 0.0 112.022 173.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -30.91 71.47 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.155 1.343 . . . . 0.0 111.653 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -68.71 -18.22 64.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -82.21 -0.44 45.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.007 . . . . 0.0 112.629 172.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -106.13 2.87 27.42 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.599 1.56 . . . . 0.0 113.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -122.91 101.31 7.36 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.877 1.671 . . . . 0.0 109.887 170.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t -102.6 -0.08 32.52 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.91 1.284 . . . . 0.0 114.366 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.69 -10.86 54.98 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.196 1.379 . . . . 0.0 114.03 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.3 28.11 16.21 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.626 1.97 . . . . 0.0 113.455 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.91 -32.05 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.178 1.391 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -115.06 -15.63 11.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.574 1.549 . . . . 0.0 111.885 -177.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 44.9 m -53.79 -27.76 31.05 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.31 150.94 66.03 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 126.457 1.903 . . . . 0.0 112.197 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.31 153.44 78.26 Favored 'Trans proline' 0 CA--C 1.539 0.755 1 C-N-CA 125.409 4.072 . . . . 0.0 112.738 -174.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 46.0 t -59.99 126.88 84.74 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.951 0.9 . . . . 0.0 110.008 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 111.6 2.96 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.29 2.66 . . . . 0.0 110.459 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.71 -18.87 62.8 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -59.53 -18.37 39.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.076 1.35 . . . . 0.0 113.815 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.93 8.56 10.49 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.277 1.431 . . . . 0.0 113.761 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 43.7 t -148.35 90.79 4.89 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.646 1.578 . . . . 0.0 110.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.63 -5.36 12.44 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.19 2.593 . . . . 0.0 113.006 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.21 6.28 26.54 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.647 1.579 . . . . 0.0 113.78 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.69 -43.6 85.24 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.831 -1.168 . . . . 0.0 112.25 -172.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.56 -18.97 61.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.21 1.404 . . . . 0.0 113.55 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.43 -12.54 59.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.501 1.12 . . . . 0.0 112.934 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -114.67 -26.25 7.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.839 1.256 . . . . 0.0 113.658 173.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mm -116.06 108.8 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.46 1.504 . . . . 0.0 110.009 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.91 -26.82 43.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.647 1.179 . . . . 0.0 113.54 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -129.17 72.51 81.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.086 1.754 . . . . 0.0 110.854 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.2 134.85 21.76 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.338 2.692 . . . . 0.0 111.105 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 2.9 tpt -147.53 159.28 43.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.011 1.324 . . . . 0.0 113.433 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -159.36 160.04 34.54 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.017 1.727 . . . . 0.0 111.348 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.53 -33.49 63.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.65 0.78 . . . . 0.0 112.88 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.05 -43.5 98.46 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.009 0.523 . . . . 0.0 111.405 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -64.22 -43.53 94.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.729 0.812 . . . . 0.0 111.246 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.8 mtp -61.52 -45.7 93.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.697 0.681 . . . . 0.0 112.008 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.82 -47.55 84.41 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.521 -0.737 . . . . 0.0 112.405 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -60.72 -43.42 97.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.706 0.803 . . . . 0.0 111.812 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.46 -40.68 97.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.829 0.852 . . . . 0.0 112.481 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.54 -41.79 79.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.23 -0.919 . . . . 0.0 111.651 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.8 -9.7 52.54 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.786 0.834 . . . . 0.0 113.101 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.45 8.48 35.67 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.18 1.792 . . . . 0.0 113.21 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 64.54 25.38 13.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.695 1.998 . . . . 0.0 114.268 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -64.36 -26.11 68.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.677 1.191 . . . . 0.0 113.607 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -91.77 103.18 15.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.479 1.112 . . . . 0.0 111.868 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.92 -10.82 22.29 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.053 1.341 . . . . 0.0 113.166 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -144.05 146.53 32.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.022 1.729 . . . . 0.0 110.028 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.49 -25.84 67.66 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 122.079 -0.388 . . . . 0.0 111.705 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.76 -22.35 66.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.786 1.634 . . . . 0.0 113.892 176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -92.36 -38.96 11.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.5 1.12 . . . . 0.0 111.537 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.66 -39.82 91.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.219 1.007 . . . . 0.0 112.243 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.73 -35.16 76.77 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.11 0.964 . . . . 0.0 111.719 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -79.16 -32.85 44.43 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.255 1.422 . . . . 0.0 112.227 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.25 -28.38 67.17 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.402 -0.811 . . . . 0.0 112.158 170.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.99 -42.47 66.43 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.777 0.717 . . . . 0.0 110.776 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -56.1 -34.54 66.13 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.905 -0.497 . . . . 0.0 111.626 172.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.6 tp -64.08 -39.36 93.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.2 1.4 . . . . 0.0 112.635 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.23 -44.33 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.907 0.883 . . . . 0.0 110.579 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.83 -55.28 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.808 0.843 . . . . 0.0 110.577 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.7 p -64.83 -31.08 72.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.89 -32.01 73.27 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.07 -1.019 . . . . 0.0 112.76 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.3 t -71.64 -24.49 61.87 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.167 -0.958 . . . . 0.0 112.48 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.07 2.52 51.75 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.172 1.389 . . . . 0.0 112.668 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -118.33 -18.26 9.27 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.941 1.697 . . . . 0.0 114.885 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -139.55 82.59 1.89 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.403 1.481 . . . . 0.0 110.787 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -171.42 -179.03 2.48 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.21 1.804 . . . . 0.0 112.333 -169.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.71 158.11 26.17 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.826 1.65 . . . . 0.0 108.84 169.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.72 -2.17 19.29 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -124.02 6.95 8.59 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.429 1.492 . . . . 0.0 114.01 -172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 33.0 p -83.57 157.33 22.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.06 0.933 . . . . 0.0 113.355 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.9 tt -60.29 -40.62 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.292 1.037 . . . . 0.0 110.751 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.35 -43.13 86.9 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.039 1.336 . . . . 0.0 112.41 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -56.95 -48.71 77.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.292 1.037 . . . . 0.0 110.99 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -73.55 -26.37 60.82 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.1 79.84 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.73 1.15 . . . . 0.0 112.257 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.18 70.61 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.472 -0.768 . . . . 0.0 112.643 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.72 -40.73 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 0.0 110.577 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.3 -43.53 98.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 112.073 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.81 -44.57 93.93 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.827 0.851 . . . . 0.0 112.378 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -59.27 -31.69 69.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.912 0.885 . . . . 0.0 113.147 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -87.93 -64.25 1.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.068 1.347 . . . . 0.0 111.136 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.19 -45.83 65.82 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.371 0.668 . . . . 0.0 112.23 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.29 -12.24 82.41 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 118.444 0.566 . . . . 0.0 113.12 173.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.93 -37.3 94.44 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.35 94.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.726 0.763 . . . . 0.0 112.147 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.78 -36.8 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.159 0.983 . . . . 0.0 111.874 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.45 -38.17 68.34 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.672 0.789 . . . . 0.0 111.55 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -66.59 -48.7 68.72 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.245 1.018 . . . . 0.0 112.963 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.23 -35.88 82.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.373 1.069 . . . . 0.0 112.382 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.76 -26.29 22.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.744 0.818 . . . . 0.0 112.509 -169.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.11 -28.53 67.94 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.443 1.497 . . . . 0.0 112.198 169.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -63.11 -28.25 69.95 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.235 -0.915 . . . . 0.0 113.136 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.91 -21.95 62.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.244 1.018 . . . . 0.0 112.688 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 -41.71 11.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.81 1.244 . . . . 0.0 112.775 173.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.39 -27.54 63.4 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -25.7 68.47 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.138 -0.976 . . . . 0.0 113.518 174.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 3.7 mtm -69.27 -21.76 63.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.501 1.12 . . . . 0.0 112.893 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -111.78 24.62 14.64 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 126.721 2.105 . . . . 0.0 113.586 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 7.6 t -156.87 -173.17 4.34 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.903 1.281 . . . . 0.0 111.843 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 172.84 -177.45 45.35 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.072 1.32 . . . . 0.0 114.114 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.41 157.74 55.85 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 124.006 3.137 . . . . 0.0 111.778 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 20.3 m -79.6 15.54 1.3 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.229 1.412 . . . . 0.0 113.916 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 9.6 t -158.96 165.18 34.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.128 1.771 . . . . 0.0 111.38 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 C-N-CA 125.382 1.468 . . . . 0.0 112.943 -177.003 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.919 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -62.71 -42.19 99.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.6 1.16 . . . . 0.0 112.55 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.53 -35.85 82.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.655 0.782 . . . . 0.0 111.342 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.48 -33.91 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.892 0.877 . . . . 0.0 112.091 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.56 -45.74 77.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.191 0.905 . . . . 0.0 110.52 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.31 -35.28 79.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.269 0.627 . . . . 0.0 111.414 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -59.06 -52.54 65.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.523 0.729 . . . . 0.0 110.857 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -70.46 -30.41 67.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.623 0.769 . . . . 0.0 112.868 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.5 m -72.15 -43.28 64.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.411 1.085 . . . . 0.0 111.089 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.36 -36.65 78.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.128 0.876 . . . . 0.0 111.998 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.82 -22.66 64.23 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -79.62 -39.04 32.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.299 0.954 . . . . 0.0 111.413 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.87 -32.05 73.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.704 1.138 . . . . 0.0 112.136 172.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.89 -19.73 65.98 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -89.44 5.94 43.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.183 0.993 . . . . 0.0 112.885 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -102.34 -4.06 26.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 113.062 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -117.49 91.81 3.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.134 1.774 . . . . 0.0 110.183 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -92.46 -3.12 55.68 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.796 1.239 . . . . 0.0 114.255 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.87 -10.59 56.27 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.182 1.372 . . . . 0.0 114.182 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 56.69 31.4 19.24 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.323 1.849 . . . . 0.0 113.328 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.46 -32.03 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.888 1.275 . . . . 0.0 111.722 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.36 -19.62 12.55 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.821 1.648 . . . . 0.0 112.046 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.8 m -49.29 -27.01 3.44 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.03 1.732 . . . . 0.0 114.221 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.6 158.57 75.25 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 126.933 2.093 . . . . 0.0 111.508 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.74 149.09 90.23 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.537 3.491 . . . . 0.0 111.946 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.93 125.82 88.69 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.839 . . . . 0.0 109.63 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.06 110.68 2.88 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.276 2.651 . . . . 0.0 110.592 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -69.11 -21.84 64.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.033 0.533 . . . . 0.0 112.27 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.96 -18.69 58.64 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 113.946 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.92 2.7 11.04 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.981 1.312 . . . . 0.0 114.132 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 17.9 t -148.03 81.93 8.01 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.643 1.577 . . . . 0.0 109.746 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.26 -15.69 15.9 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.919 2.412 . . . . 0.0 112.965 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -94.31 3.39 55.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.296 1.438 . . . . 0.0 113.496 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.02 -41.67 78.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.971 -1.08 . . . . 0.0 112.375 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.88 -19.48 58.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.986 1.314 . . . . 0.0 113.282 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.11 -17.79 36.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.716 1.206 . . . . 0.0 112.929 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.91 -26.59 11.15 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.538 1.135 . . . . 0.0 113.592 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.34 116.6 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.108 1.363 . . . . 0.0 109.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -72.24 -29.5 63.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -142.66 75.39 18.57 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.445 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.56 141.54 31.4 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.106 2.537 . . . . 0.0 111.437 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 67.7 mmm -149.83 168.16 24.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.808 2.043 . . . . 0.0 111.509 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -167.38 167.9 13.54 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.221 2.208 . . . . 0.0 111.262 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.39 -27.52 69.06 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -69.59 -40.45 76.67 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.816 0.735 . . . . 0.0 110.767 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 29.5 m -68.21 -37.87 81.34 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 111.304 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 58.6 mmm -55.22 -54.08 47.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.752 0.821 . . . . 0.0 111.041 170.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -58.28 -46.79 85.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.881 0.873 . . . . 0.0 113.292 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.938 0.895 . . . . 0.0 111.726 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.73 -41.15 90.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.614 0.766 . . . . 0.0 111.702 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.02 -45.46 77.46 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.88 -1.138 . . . . 0.0 111.686 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -66.55 -15.2 63.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.095 0.958 . . . . 0.0 113.357 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.71 14.35 32.17 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.164 1.786 . . . . 0.0 113.103 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 62.36 30.34 17.38 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.934 1.694 . . . . 0.0 113.45 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.14 -15.63 55.31 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 113.303 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -113.73 100.98 8.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.194 1.398 . . . . 0.0 111.696 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -3.95 21.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.647 1.579 . . . . 0.0 113.133 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -142.7 143.06 32.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.174 1.79 . . . . 0.0 109.945 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -67.02 -26.42 66.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.883 0.473 . . . . 0.0 112.222 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.71 -43.04 80.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.156 1.382 . . . . 0.0 112.655 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -72.87 -40.51 65.57 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.657 0.662 . . . . 0.0 111.812 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.84 -36.24 82.58 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.981 0.912 . . . . 0.0 111.959 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.36 -44.03 65.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 111.79 172.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.2 -34.91 75.63 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.011 -1.056 . . . . 0.0 113.744 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -70.71 -29.1 65.28 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.521 -0.737 . . . . 0.0 112.661 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.89 -44.83 79.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.243 0.929 . . . . 0.0 110.826 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -57.96 -38.71 76.53 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.752 -0.593 . . . . 0.0 111.918 172.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.86 -45.15 95.67 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 111.642 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.14 -44.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.619 1.167 . . . . 0.0 111.603 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.62 -55.53 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.549 0.74 . . . . 0.0 110.476 172.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -35.0 77.04 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.82 -22.52 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.829 -1.169 . . . . 0.0 113.485 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.82 -53.42 10.28 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.478 0.581 . . . . 0.0 109.712 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.24 -26.24 62.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.163 1.785 . . . . 0.0 113.149 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -80.9 -15.07 57.3 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.67 1.588 . . . . 0.0 115.151 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -137.2 63.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.233 1.413 . . . . 0.0 113.236 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.41 168.5 20.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.377 1.471 . . . . 0.0 112.881 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.68 152.59 19.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.392 1.077 . . . . 0.0 109.747 169.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.02 20.56 0.05 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.627 1.971 . . . . 0.0 115.993 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -147.96 6.28 0.79 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.856 1.662 . . . . 0.0 113.958 -169.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.0 p -90.7 162.8 14.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.901 0.881 . . . . 0.0 112.739 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.43 -43.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.016 0.926 . . . . 0.0 111.11 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -67.11 -40.65 86.9 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.703 1.201 . . . . 0.0 111.966 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -57.86 -51.66 68.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.256 1.022 . . . . 0.0 111.13 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -70.95 -27.63 63.88 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.78 82.13 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.107 -0.996 . . . . 0.0 112.472 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.36 74.51 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.488 -0.758 . . . . 0.0 112.019 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.23 -38.47 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.4 0.68 . . . . 0.0 111.007 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.3 -45.58 87.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.521 0.728 . . . . 0.0 111.954 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.3 -44.29 92.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.845 0.858 . . . . 0.0 112.412 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -56.65 -32.7 65.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.562 1.145 . . . . 0.0 113.113 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.31 -62.82 1.38 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.166 1.386 . . . . 0.0 111.588 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.73 -48.35 64.02 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 112.635 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -79.59 -9.66 86.63 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.691 -0.631 . . . . 0.0 113.098 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.3 91.6 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.275 1.038 . . . . 0.0 111.206 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.65 82.58 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.37 1.068 . . . . 0.0 112.772 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.404 HG23 ' HA2' ' B' ' 140' ' ' GLY . 99.7 t -61.2 -37.35 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.089 0.956 . . . . 0.0 111.181 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.47 -31.01 66.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.384 0.674 . . . . 0.0 111.981 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.17 -54.75 11.56 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.74 1.155 . . . . 0.0 113.374 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.17 -22.28 62.72 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.642 1.177 . . . . 0.0 113.15 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.069 0.948 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -58.44 -40.88 83.77 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.75 1.22 . . . . 0.0 112.177 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -62.88 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -75.87 -22.14 56.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.37 1.068 . . . . 0.0 112.52 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.18 -44.64 10.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.916 1.286 . . . . 0.0 111.913 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.25 -32.87 73.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.161 0 CA-C-O 119.72 -0.489 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -54.59 -40.1 68.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.843 1.257 . . . . 0.0 112.489 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.81 -19.09 62.04 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.983 0.913 . . . . 0.0 113.458 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.19 -34.45 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.482 0.713 . . . . 0.0 110.776 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.99 -40.07 83.74 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.761 -0.587 . . . . 0.0 110.485 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.78 -44.23 77.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.235 0.614 . . . . 0.0 111.546 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -65.24 -40.54 94.17 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.97 0.805 . . . . 0.0 111.926 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.53 -30.35 70.64 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 112.862 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 32.2 m -73.1 -46.44 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.53 1.132 . . . . 0.0 110.645 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.4 tp -57.85 -38.59 75.94 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 112.909 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.55 -23.37 64.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.561 0.745 . . . . 0.0 112.905 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -83.44 -25.02 31.6 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 120.958 -1.089 . . . . 0.0 113.203 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.92 -22.02 65.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.136 . . . . 0.0 112.237 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -73.8 -20.79 60.36 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.367 -0.833 . . . . 0.0 112.895 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.71 6.54 8.67 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.924 0.89 . . . . 0.0 112.704 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -117.19 1.53 12.5 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.397 1.879 . . . . 0.0 112.99 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -126.55 83.66 2.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.003 2.121 . . . . 0.0 109.115 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.3 t -84.3 -5.68 59.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.754 1.222 . . . . 0.0 113.872 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.9 -12.39 60.52 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.535 1.54 . . . . 0.0 113.666 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 59.77 25.99 15.08 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.482 1.913 . . . . 0.0 113.022 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -71.6 -34.46 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.447 1.499 . . . . 0.0 112.122 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -108.47 -18.6 13.7 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.024 1.33 . . . . 0.0 112.22 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -54.38 -24.08 18.23 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.139 1.376 . . . . 0.0 114.112 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.15 152.73 80.69 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.864 1.666 . . . . 0.0 112.406 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.5 149.78 62.68 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 125.01 3.806 . . . . 0.0 113.312 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.23 125.1 91.17 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 124.399 1.08 . . . . 0.0 109.876 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 124.53 7.56 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 0.0 111.745 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.92 -16.94 62.12 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 27.9 m -68.63 -27.33 65.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.879 0.872 . . . . 0.0 112.559 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -94.04 -34.0 13.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.28 1.032 . . . . 0.0 112.017 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.16 81.2 69.19 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 110.098 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.01 -14.56 16.87 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.227 2.618 . . . . 0.0 112.988 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -98.82 11.9 37.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.676 1.59 . . . . 0.0 112.918 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -56.81 -38.24 72.31 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.864 -1.147 . . . . 0.0 112.512 -175.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.52 -20.18 54.65 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.272 1.429 . . . . 0.0 113.231 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.72 -25.13 41.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.6 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -99.58 -29.59 12.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.131 0.972 . . . . 0.0 113.424 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 121.28 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.821 1.248 . . . . 0.0 111.133 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -75.14 -31.16 60.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.92 1.288 . . . . 0.0 114.106 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -141.05 73.49 26.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.035 1.734 . . . . 0.0 111.225 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.46 135.65 16.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.721 2.947 . . . . 0.0 111.483 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.9 tpt -148.4 157.68 43.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.393 1.077 . . . . 0.0 113.507 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -151.74 166.38 31.52 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 112.025 -174.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.19 -30.27 70.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.56 -39.55 84.95 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.794 0.724 . . . . 0.0 110.729 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -34.78 76.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.399 1.08 . . . . 0.0 111.464 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 61.6 mmm -57.16 -55.01 40.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.895 0.878 . . . . 0.0 110.617 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.85 -42.54 98.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 112.68 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -61.7 -48.38 81.05 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.498 1.119 . . . . 0.0 111.77 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.61 -35.14 79.94 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.42 -43.65 66.36 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.403 -0.811 . . . . 0.0 111.853 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.58 -10.28 59.6 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.818 0.847 . . . . 0.0 113.027 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.38 1.46 49.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.733 1.613 . . . . 0.0 113.343 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 64.4 41.87 5.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.732 1.613 . . . . 0.0 112.652 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -93.91 -13.47 27.1 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.367 1.067 . . . . 0.0 113.763 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -92.39 -67.69 0.84 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.036 0.935 . . . . 0.0 113.005 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 2.71 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.751 2.421 . . . . 0.0 115.693 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -153.51 139.3 18.01 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.637 1.975 . . . . 0.0 108.838 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.64 -27.29 69.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.031 0.533 . . . . 0.0 111.206 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -65.44 -26.6 68.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 113.26 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -89.91 -37.62 14.27 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.272 1.029 . . . . 0.0 111.655 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -63.51 -39.42 94.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.388 1.075 . . . . 0.0 112.336 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.18 -40.01 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.547 1.139 . . . . 0.0 111.895 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.07 -31.75 70.73 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.211 -0.93 . . . . 0.0 113.299 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.56 -26.29 59.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.684 -0.635 . . . . 0.0 112.638 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.07 -41.61 73.92 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.109 -0.994 . . . . 0.0 110.741 169.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -58.92 -29.78 67.35 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.255 0.622 . . . . 0.0 112.185 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.48 -45.55 90.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.011 0.925 . . . . 0.0 111.721 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.33 -47.17 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.546 1.139 . . . . 0.0 110.975 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.03 -50.43 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.225 1.01 . . . . 0.0 110.352 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.3 t -58.43 -39.29 79.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.995 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -59.55 -29.65 68.07 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.027 -1.045 . . . . 0.0 113.559 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 17.8 t -79.9 -42.78 23.46 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.761 0.71 . . . . 0.0 111.67 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.62 -20.36 64.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.008 0.923 . . . . 0.0 112.324 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -89.21 -19.06 25.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -149.75 69.44 1.03 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.039 1.335 . . . . 0.0 112.956 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.68 152.88 5.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.173 1.789 . . . . 0.0 110.508 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.9 32.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.909 0.862 . . . . 0.0 112.666 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 6.07 1.64 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 117.245 2.313 . . . . 0.0 117.245 -169.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.21 16.95 1.07 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.751 1.22 . . . . 0.0 114.139 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.5 p -94.0 162.81 13.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.575 1.15 . . . . 0.0 112.941 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.47 -42.74 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.368 1.067 . . . . 0.0 111.054 169.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -67.05 -43.98 81.32 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.78 1.232 . . . . 0.0 111.842 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.24 -44.3 95.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.117 0.567 . . . . 0.0 110.799 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.1 -35.79 82.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.174 0.99 . . . . 0.0 113.228 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.9 72.72 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.454 1.024 . . . . 0.0 112.539 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.65 75.78 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.693 -0.63 . . . . 0.0 112.593 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.55 -41.77 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 0.0 110.602 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.479 0.712 . . . . 0.0 111.534 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.14 -46.02 92.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.057 0.943 . . . . 0.0 112.639 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -59.71 -31.31 69.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.445 1.098 . . . . 0.0 113.339 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -89.0 -65.6 1.0 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.768 1.227 . . . . 0.0 111.679 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -69.75 -47.01 64.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.619 0.768 . . . . 0.0 112.538 -169.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.463 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.52 -13.03 79.33 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.64 0.654 . . . . 0.0 113.282 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.0 -33.02 86.12 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 118.167 0.984 . . . . 0.0 110.646 169.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.68 81.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.916 0.886 . . . . 0.0 112.08 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.463 HG23 ' HA2' ' B' ' 140' ' ' GLY . 49.1 t -63.0 -39.87 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.892 0.877 . . . . 0.0 111.746 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.08 -40.16 82.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.491 0.716 . . . . 0.0 111.386 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -68.24 -45.14 74.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.091 0.956 . . . . 0.0 113.205 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.22 -35.24 77.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.282 1.033 . . . . 0.0 112.067 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.58 -25.13 22.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.742 0.817 . . . . 0.0 112.666 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -61.15 -27.5 68.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.719 1.208 . . . . 0.0 112.394 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -64.01 -22.3 66.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -70.59 -26.03 63.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.15 15.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.424 1.09 . . . . 0.0 112.122 171.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -66.14 -34.15 77.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -58.32 -39.88 80.57 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.129 0.965 . . . . 0.0 112.348 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.19 -20.19 64.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.939 0.896 . . . . 0.0 112.922 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.6 -37.8 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.896 0.878 . . . . 0.0 111.14 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 64.9 mt -52.86 -39.6 62.73 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.091 0.957 . . . . 0.0 111.798 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.85 -27.9 65.22 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.52 0.728 . . . . 0.0 111.535 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -69.74 -48.66 58.62 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.743 0.817 . . . . 0.0 110.028 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -34.85 76.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.489 1.116 . . . . 0.0 112.107 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -76.52 -48.01 20.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.477 1.111 . . . . 0.0 111.389 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.94 -39.92 79.24 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.669 1.122 . . . . 0.0 112.663 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.13 -27.51 65.63 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -74.88 -31.75 61.68 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.526 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.53 -31.88 73.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.302 0.956 . . . . 0.0 112.191 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -71.82 -22.38 61.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.957 0.799 . . . . 0.0 112.906 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.092 0.86 . . . . 0.0 112.697 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.14 -9.12 56.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.374 1.07 . . . . 0.0 113.872 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -108.85 79.79 1.26 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.971 1.708 . . . . 0.0 110.059 171.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -84.49 -5.67 59.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.628 1.171 . . . . 0.0 113.957 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.07 -10.49 64.37 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.481 1.515 . . . . 0.0 113.772 169.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.46 24.73 14.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.663 1.985 . . . . 0.0 113.143 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.71 -35.64 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.321 1.449 . . . . 0.0 112.111 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -110.03 -20.79 12.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 112.225 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -60.47 -19.64 57.3 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.833 1.253 . . . . 0.0 113.701 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -125.62 153.09 72.82 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.787 1.635 . . . . 0.0 111.77 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.47 144.53 61.53 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 124.56 3.506 . . . . 0.0 112.341 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -61.12 126.53 86.24 Favored Pre-proline 0 N--CA 1.482 1.127 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.574 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.74 111.08 3.21 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.507 2.805 . . . . 0.0 111.051 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.27 -19.95 61.61 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -26.35 68.5 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.258 1.023 . . . . 0.0 113.042 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.97 1.67 14.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.044 1.338 . . . . 0.0 114.027 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 t -143.4 75.4 16.78 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.494 1.518 . . . . 0.0 110.102 172.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.15 -10.29 16.45 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.144 2.563 . . . . 0.0 113.471 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.82 5.31 38.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.717 1.207 . . . . 0.0 113.018 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.83 -44.28 81.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.497 1.119 . . . . 0.0 112.257 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.78 -19.9 60.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.362 1.465 . . . . 0.0 113.235 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.85 -20.53 35.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.438 1.095 . . . . 0.0 112.712 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -104.29 -36.48 7.6 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 113.37 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.2 119.2 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.428 1.091 . . . . 0.0 110.18 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -75.67 -28.21 58.61 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -139.9 81.2 19.46 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.9 1.68 . . . . 0.0 109.564 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -81.72 138.55 10.66 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.465 2.776 . . . . 0.0 111.186 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.0 ttt -163.12 154.09 16.85 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -170.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -146.54 172.67 13.21 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.406 2.282 . . . . 0.0 110.573 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -57.48 -29.92 64.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.79 -40.86 96.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.083 0.553 . . . . 0.0 111.38 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 27.2 m -67.68 -39.21 84.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.713 1.205 . . . . 0.0 111.296 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.0 mtp -59.95 -51.82 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.217 0.462 . . . . 0.0 111.495 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -55.19 -46.18 75.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.604 1.162 . . . . 0.0 112.887 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -63.77 -46.13 86.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.095 0.958 . . . . 0.0 112.129 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.4 -40.61 97.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.271 0.628 . . . . 0.0 112.15 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.97 -41.13 82.86 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.007 -1.058 . . . . 0.0 111.863 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.2 -10.21 52.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.358 1.063 . . . . 0.0 113.52 173.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.47 7.44 37.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.721 1.608 . . . . 0.0 113.047 171.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 64.66 27.92 13.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.558 1.943 . . . . 0.0 113.647 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -74.57 -13.35 60.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.298 . . . . 0.0 113.68 -171.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -104.2 105.1 15.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.359 1.464 . . . . 0.0 111.522 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.63 -6.51 27.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.887 1.275 . . . . 0.0 113.479 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -150.64 157.94 43.57 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.746 1.218 . . . . 0.0 110.8 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -67.94 -22.55 65.04 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.18 -47.87 83.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.617 1.167 . . . . 0.0 112.467 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -74.66 -31.95 62.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.495 0.718 . . . . 0.0 112.291 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.52 -40.07 85.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.546 1.138 . . . . 0.0 111.79 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.37 -42.0 75.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.562 1.145 . . . . 0.0 111.491 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.65 -33.48 75.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.987 0.915 . . . . 0.0 113.311 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -73.56 -22.02 60.19 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.03 -43.45 62.03 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.087 -1.008 . . . . 0.0 109.588 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -58.56 -32.98 69.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.384 0.673 . . . . 0.0 111.989 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.86 -44.8 96.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.863 0.865 . . . . 0.0 111.934 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.05 -41.24 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.357 1.063 . . . . 0.0 111.305 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.61 -56.13 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.423 0.689 . . . . 0.0 110.483 172.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -65.76 -29.17 69.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.95 70.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.932 1.693 . . . . 0.0 111.562 170.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 47.8 t -80.47 -42.98 21.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.163 0.585 . . . . 0.0 111.678 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.87 -22.01 66.72 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.748 0.819 . . . . 0.0 112.073 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -78.74 -51.58 9.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.554 1.142 . . . . 0.0 112.993 169.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -103.66 63.0 0.77 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.394 1.077 . . . . 0.0 113.067 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.1 160.76 10.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.584 1.154 . . . . 0.0 112.721 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.7 172.97 11.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.015 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -89.15 7.04 37.24 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -138.39 30.95 2.37 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.858 1.663 . . . . 0.0 112.606 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 71.7 p -121.98 162.33 21.3 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.576 1.551 . . . . 0.0 112.691 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.16 -44.27 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.784 1.234 . . . . 0.0 112.233 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -67.46 -42.01 83.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.046 0.939 . . . . 0.0 112.523 -169.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -59.16 -45.83 89.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.355 0.662 . . . . 0.0 111.125 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.83 0.852 . . . . 0.0 113.169 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.76 78.02 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.452 1.024 . . . . 0.0 112.13 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.66 76.11 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.603 -0.686 . . . . 0.0 112.597 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.19 -39.81 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.213 0.605 . . . . 0.0 110.918 170.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.35 -37.09 85.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.482 0.713 . . . . 0.0 112.168 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.06 -46.5 77.56 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.086 0.954 . . . . 0.0 111.973 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -58.08 -33.04 68.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.307 1.043 . . . . 0.0 113.144 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.15 -67.21 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.888 1.275 . . . . 0.0 111.536 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.39 -45.64 68.79 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -169.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.462 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.07 -13.76 78.5 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.645 0.657 . . . . 0.0 113.242 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.26 89.44 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 169.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.61 -40.76 84.69 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.665 0.786 . . . . 0.0 111.747 169.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.462 HG23 ' HA2' ' B' ' 140' ' ' GLY . 57.6 t -61.25 -38.27 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.22 1.008 . . . . 0.0 111.911 -176.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.69 -40.42 76.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.293 0.637 . . . . 0.0 111.459 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -72.47 -41.18 66.32 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -64.06 -34.19 77.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.624 0.77 . . . . 0.0 112.057 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.53 -27.4 20.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.939 0.896 . . . . 0.0 112.236 -170.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -58.58 -30.84 67.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.381 1.073 . . . . 0.0 111.563 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.38 -24.71 66.68 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.61 -19.79 60.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 112.746 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.56 -37.22 12.01 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.248 1.419 . . . . 0.0 112.822 171.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.09 -33.23 75.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.797 0.839 . . . . 0.0 112.948 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 CA-C-O 119.986 -0.341 . . . . 0.0 113.114 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.55 -36.3 73.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.833 1.253 . . . . 0.0 112.654 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.35 -20.69 62.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.96 0.904 . . . . 0.0 113.129 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.8 -32.91 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.166 0.987 . . . . 0.0 110.601 171.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.25 -44.11 92.8 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.701 -0.624 . . . . 0.0 110.605 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.57 -45.54 65.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.56 0.344 . . . . 0.0 111.533 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -62.81 -28.77 70.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.35 -46.33 20.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.882 0.873 . . . . 0.0 112.38 171.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -62.42 -40.58 97.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.915 1.286 . . . . 0.0 111.862 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.77 -34.39 69.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -70.42 -28.18 64.85 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.251 0.62 . . . . 0.0 112.01 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -75.45 -30.11 59.87 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.671 0.788 . . . . 0.0 111.593 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.03 -27.41 67.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.998 0.817 . . . . 0.0 112.65 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.34 -22.61 59.15 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.034 0.833 . . . . 0.0 112.696 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.87 -18.83 62.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.977 0.808 . . . . 0.0 112.502 170.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.83 1.31 54.28 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.973 1.309 . . . . 0.0 113.572 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -123.03 79.2 1.63 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.362 1.865 . . . . 0.0 109.753 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.8 t -82.45 -6.23 59.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.87 1.268 . . . . 0.0 113.843 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.04 -12.42 61.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.515 1.531 . . . . 0.0 113.693 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 60.01 28.33 17.85 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.29 1.836 . . . . 0.0 112.978 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.8 mt -76.31 -30.94 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.907 1.683 . . . . 0.0 111.779 -174.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -113.94 -13.74 12.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.995 1.718 . . . . 0.0 112.755 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -60.87 -18.88 58.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.167 1.387 . . . . 0.0 113.861 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -133.83 158.11 76.24 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 112.082 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.75 152.1 74.23 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.624 3.549 . . . . 0.0 111.984 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -67.15 129.6 93.85 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 110.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.55 112.59 3.26 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.34 2.693 . . . . 0.0 110.819 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.11 -24.23 63.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.234 0.613 . . . . 0.0 112.307 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -62.46 -17.81 60.33 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.956 1.303 . . . . 0.0 113.931 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.65 4.47 10.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.211 1.405 . . . . 0.0 113.926 171.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 t -149.55 77.41 8.78 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.677 1.591 . . . . 0.0 108.964 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.28 -11.75 14.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.067 2.511 . . . . 0.0 113.365 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.94 2.85 49.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.38 1.072 . . . . 0.0 112.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.77 -40.99 73.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.539 1.135 . . . . 0.0 112.434 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.21 -21.66 58.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.086 1.354 . . . . 0.0 113.367 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -84.74 -24.25 28.92 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.514 1.125 . . . . 0.0 112.533 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -97.53 -37.74 9.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.405 1.082 . . . . 0.0 112.665 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.7 118.44 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.525 1.13 . . . . 0.0 109.971 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.41 -27.97 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.222 1.009 . . . . 0.0 113.616 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -137.96 83.81 22.56 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.261 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.37 123.66 7.26 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.989 1.793 . . . . 0.0 109.356 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.56 164.51 38.11 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -169.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -168.33 174.54 6.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.012 1.725 . . . . 0.0 112.69 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.87 -25.32 68.11 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -70.44 -37.77 74.41 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.907 1.23 . . . . 0.0 110.924 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.6 m -69.51 -36.51 76.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.362 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.04 -54.43 43.12 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.944 0.793 . . . . 0.0 110.155 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -56.17 -46.38 79.35 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 113.0 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.58 -44.66 89.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.839 0.856 . . . . 0.0 112.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -66.81 -30.52 70.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -77.38 -39.29 47.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.379 1.072 . . . . 0.0 112.183 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.94 -15.96 63.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.354 1.062 . . . . 0.0 112.992 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.01 -7.34 22.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.715 1.606 . . . . 0.0 113.461 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 71.92 51.84 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.176 2.191 . . . . 0.0 112.188 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -15.15 39.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.852 1.261 . . . . 0.0 114.211 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -83.38 -78.22 0.23 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.904 0.882 . . . . 0.0 113.369 -170.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 67.29 -0.68 1.73 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.03 2.532 . . . . 0.0 115.287 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -148.22 138.89 22.95 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 126.581 1.952 . . . . 0.0 108.896 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -66.71 -24.76 66.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.219 0.608 . . . . 0.0 111.529 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.53 -39.92 85.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.979 0.912 . . . . 0.0 112.068 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -75.51 -38.13 59.65 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.235 1.014 . . . . 0.0 112.167 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.28 -37.7 87.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 111.936 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.37 -40.86 66.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.937 1.295 . . . . 0.0 111.742 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.12 -32.55 70.63 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.065 -1.022 . . . . 0.0 113.693 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -74.49 -30.79 61.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.514 -0.741 . . . . 0.0 111.784 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.0 -43.56 98.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.849 -1.157 . . . . 0.0 111.01 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -58.4 -32.25 68.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.541 0.736 . . . . 0.0 112.457 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.3 -39.94 94.93 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.126 0.971 . . . . 0.0 112.323 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.9 mt -69.62 -39.48 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.844 1.257 . . . . 0.0 111.061 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.36 -52.35 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.287 0.635 . . . . 0.0 109.751 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -59.8 -34.14 72.65 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.598 1.159 . . . . 0.0 113.75 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -34.82 62.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.768 1.227 . . . . 0.0 113.164 174.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.6 t -79.51 -49.95 11.49 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.355 0.525 . . . . 0.0 110.784 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.47 -24.93 49.16 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.046 1.339 . . . . 0.0 112.657 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -91.74 -18.57 23.72 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.545 1.938 . . . . 0.0 114.445 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -136.02 75.45 1.55 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.561 1.544 . . . . 0.0 111.953 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -160.49 -167.88 2.0 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.392 1.477 . . . . 0.0 112.812 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -138.63 162.77 33.8 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.995 1.718 . . . . 0.0 110.196 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -68.35 2.22 2.44 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.81 9.45 3.07 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.156 1.382 . . . . 0.0 114.059 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.6 p -89.22 158.22 17.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.843 0.857 . . . . 0.0 112.628 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -61.33 -40.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.337 1.055 . . . . 0.0 111.637 169.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -67.71 -36.8 81.28 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.709 1.204 . . . . 0.0 112.749 -172.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -56.59 -54.81 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.159 0.983 . . . . 0.0 110.979 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.79 -29.01 68.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.13 0.972 . . . . 0.0 112.96 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.25 86.92 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.414 1.006 . . . . 0.0 112.631 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.22 73.18 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.49 -0.756 . . . . 0.0 112.221 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.2 -37.73 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.309 0.644 . . . . 0.0 111.053 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -60.17 -44.77 94.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.884 0.874 . . . . 0.0 111.92 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.71 -45.65 93.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.914 0.886 . . . . 0.0 112.2 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -58.15 -31.0 66.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.898 0.879 . . . . 0.0 113.139 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.1 -64.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.823 1.249 . . . . 0.0 111.724 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.22 -40.51 71.07 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.441 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.75 -8.15 87.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.63 0.65 . . . . 0.0 113.07 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.13 94.32 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.338 1.069 . . . . 0.0 110.68 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.41 90.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.607 0.763 . . . . 0.0 112.055 170.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.441 HG23 ' HA2' ' B' ' 140' ' ' GLY . 46.5 t -63.21 -39.72 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.733 0.813 . . . . 0.0 111.182 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.4 -36.04 76.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.567 0.747 . . . . 0.0 111.478 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -68.33 -52.48 33.0 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.387 0.994 . . . . 0.0 113.445 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.86 -36.41 81.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.21 1.004 . . . . 0.0 111.708 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.84 -28.37 24.48 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.049 0.939 . . . . 0.0 111.787 -170.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.72 -32.42 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 111.623 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -64.96 -24.63 67.58 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.168 -0.957 . . . . 0.0 113.467 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -71.1 -23.82 62.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.98 0.912 . . . . 0.0 112.492 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -43.33 12.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 111.912 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -65.75 -34.34 77.96 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -58.32 -47.51 83.5 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.762 1.225 . . . . 0.0 112.362 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -23.15 67.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.37 1.068 . . . . 0.0 112.865 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mt -80.14 -37.89 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.02 1.328 . . . . 0.0 110.873 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.68 -42.49 75.24 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.718 0.807 . . . . 0.0 110.617 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.55 -32.95 72.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.955 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -59.55 -52.72 64.33 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.147 0.885 . . . . 0.0 110.372 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.71 -35.31 80.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.49 1.116 . . . . 0.0 113.03 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 m -72.92 -47.88 41.87 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.771 1.229 . . . . 0.0 111.072 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.92 -39.44 77.98 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.32 -22.14 64.72 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -82.88 -28.73 29.81 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.321 0.964 . . . . 0.0 112.236 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.59 -31.6 72.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.016 1.28 . . . . 0.0 111.466 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -69.71 -23.13 63.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.479 0.712 . . . . 0.0 112.768 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.26 -18.51 60.07 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.131 0.878 . . . . 0.0 112.575 172.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.02 6.76 38.19 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.028 1.331 . . . . 0.0 113.736 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -121.9 79.47 1.58 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.791 1.637 . . . . 0.0 109.929 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 70.5 p -83.25 -5.74 59.23 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.431 1.492 . . . . 0.0 114.197 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -12.7 58.1 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.138 1.828 . . . . 0.0 113.959 169.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.4 28.22 17.85 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 112.968 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -76.45 -28.94 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.75 1.62 . . . . 0.0 111.89 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -115.7 -17.18 11.16 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.107 1.763 . . . . 0.0 112.515 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -58.58 -23.77 59.37 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.173 1.389 . . . . 0.0 113.908 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -130.74 152.51 80.63 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.742 1.617 . . . . 0.0 111.656 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.88 146.35 71.56 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.657 3.572 . . . . 0.0 112.826 -174.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.4 124.07 84.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 0.0 109.979 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -75.13 118.03 5.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.24 2.627 . . . . 0.0 111.449 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.15 -17.38 62.55 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.68 0.792 . . . . 0.0 112.778 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -68.06 -27.35 66.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 112.581 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -94.44 -32.61 13.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.379 1.072 . . . . 0.0 112.046 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.8 t -132.87 80.09 61.78 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.024 1.33 . . . . 0.0 110.318 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.31 -14.49 16.41 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.345 2.697 . . . . 0.0 113.443 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.34 4.09 50.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.623 1.169 . . . . 0.0 113.007 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -55.39 -43.38 75.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.113 0.965 . . . . 0.0 112.203 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -76.09 -20.47 57.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.876 1.271 . . . . 0.0 113.432 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.8 -27.79 40.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.08 0.952 . . . . 0.0 112.474 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -94.03 -35.22 12.7 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.29 1.036 . . . . 0.0 113.024 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mm -101.52 113.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.774 1.23 . . . . 0.0 110.35 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.88 -24.66 61.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -149.25 77.94 8.82 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 126.214 1.806 . . . . 0.0 111.58 -174.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.26 152.02 30.42 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.277 3.318 . . . . 0.0 112.184 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -163.45 156.86 19.13 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.763 1.625 . . . . 0.0 112.499 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -151.7 170.55 19.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.815 2.446 . . . . 0.0 110.557 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.38 -23.25 66.71 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.17 -44.91 82.67 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.973 0.806 . . . . 0.0 110.984 172.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 32.5 m -65.34 -39.31 92.23 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.224 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 77.3 mmm -54.15 -54.51 38.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.929 0.892 . . . . 0.0 111.262 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -58.74 -43.47 90.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.733 0.813 . . . . 0.0 112.927 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.5 -44.31 94.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.035 0.834 . . . . 0.0 112.206 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.02 -37.71 85.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.426 0.69 . . . . 0.0 111.876 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.93 69.08 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.796 -1.19 . . . . 0.0 112.139 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.14 -11.94 60.03 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.554 1.142 . . . . 0.0 113.243 174.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 9.72 36.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.115 1.766 . . . . 0.0 113.05 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 63.34 23.77 13.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.101 1.76 . . . . 0.0 113.911 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.6 -24.0 65.44 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 112.952 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -91.84 103.0 15.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.797 1.239 . . . . 0.0 111.785 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.98 -11.98 21.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.301 1.441 . . . . 0.0 113.047 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.64 146.89 31.5 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.395 1.878 . . . . 0.0 110.137 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.6 -26.65 65.48 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.53 -43.84 80.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.64 1.176 . . . . 0.0 112.645 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -72.29 -36.85 69.05 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.686 0.794 . . . . 0.0 112.36 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.96 -36.13 81.51 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.014 0.926 . . . . 0.0 111.779 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.67 -41.69 59.83 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.709 1.204 . . . . 0.0 111.841 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -66.85 -33.55 75.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.074 -1.016 . . . . 0.0 113.055 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -74.31 -25.59 59.65 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.651 -0.655 . . . . 0.0 112.387 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.5 -43.22 70.13 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.95 -1.094 . . . . 0.0 110.296 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -58.12 -31.09 66.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.208 0.603 . . . . 0.0 112.158 172.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.2 -44.04 93.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.879 0.872 . . . . 0.0 111.877 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.26 -47.05 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.122 0.969 . . . . 0.0 110.848 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.17 -52.18 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.989 0.916 . . . . 0.0 110.53 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t -58.79 -45.07 90.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.592 0.757 . . . . 0.0 112.383 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.61 -24.53 67.08 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.193 -0.942 . . . . 0.0 113.471 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -72.42 -50.46 26.18 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.091 0.556 . . . . 0.0 110.987 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.92 -27.95 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 112.213 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -77.76 -13.54 59.86 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.861 1.664 . . . . 0.0 114.833 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -131.85 49.52 2.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.571 1.548 . . . . 0.0 112.649 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -152.07 154.2 35.46 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.041 1.336 . . . . 0.0 111.185 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.32 166.76 21.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.059 0.944 . . . . 0.0 111.342 170.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.52 4.45 3.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -140.79 16.18 2.32 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.644 1.578 . . . . 0.0 115.181 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.8 p -94.2 159.62 15.06 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.126 0.97 . . . . 0.0 112.382 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.72 -38.78 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.416 1.087 . . . . 0.0 112.198 171.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.87 -33.8 70.97 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.971 0.909 . . . . 0.0 112.932 -172.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.78 -46.8 88.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.8 0.44 . . . . 0.0 110.663 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.89 -30.08 66.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.168 0.987 . . . . 0.0 113.264 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.21 74.45 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.366 0.985 . . . . 0.0 112.71 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.82 -33.78 64.3 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.24 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.339 0.656 . . . . 0.0 110.674 171.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -42.29 97.63 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.351 0.66 . . . . 0.0 111.735 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.01 -45.7 91.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.954 0.797 . . . . 0.0 112.432 171.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -58.02 -32.5 68.01 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.254 1.021 . . . . 0.0 113.116 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -85.69 -66.31 0.91 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.881 1.273 . . . . 0.0 111.633 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -70.04 -47.34 62.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.476 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.09 -14.24 77.46 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 118.501 0.591 . . . . 0.0 113.105 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.66 90.52 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-N 118.186 0.993 . . . . 0.0 110.832 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.86 88.33 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.601 0.76 . . . . 0.0 112.15 169.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.476 HG23 ' HA2' ' B' ' 140' ' ' GLY . 47.7 t -62.08 -34.41 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.273 1.029 . . . . 0.0 111.836 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 75.8 mt -74.29 -40.32 62.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.794 0.837 . . . . 0.0 111.565 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.51 -37.06 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.561 1.144 . . . . 0.0 113.26 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -73.12 -35.86 66.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.49 1.116 . . . . 0.0 112.42 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.41 25.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.559 0.744 . . . . 0.0 112.927 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -54.61 -35.04 62.97 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.523 1.529 . . . . 0.0 112.034 169.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -68.13 -22.32 64.88 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -73.1 -20.09 61.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.026 0.931 . . . . 0.0 112.641 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.4 -40.19 12.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.953 0.901 . . . . 0.0 112.449 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.56 -28.96 66.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 CA-C-O 118.999 -0.89 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.67 -43.02 99.86 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.412 1.085 . . . . 0.0 112.614 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.03 -34.17 77.8 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.888 0.875 . . . . 0.0 111.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 56.0 mt -67.77 -32.47 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.188 0.995 . . . . 0.0 112.137 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.98 -41.29 78.1 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.242 0.928 . . . . 0.0 110.936 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.77 -36.08 75.45 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.904 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -58.33 -48.1 81.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.51 0.724 . . . . 0.0 110.925 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -74.26 -19.55 60.46 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -86.35 -42.31 13.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.497 1.119 . . . . 0.0 111.117 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.62 -41.66 77.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.9 -27.92 69.18 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.698 -0.626 . . . . 0.0 112.685 175.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -78.07 -13.84 59.72 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.727 0.811 . . . . 0.0 112.539 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.75 -38.21 17.14 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.701 1.137 . . . . 0.0 108.947 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -64.61 -33.63 76.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.899 0.879 . . . . 0.0 112.599 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.8 -17.43 64.63 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -85.15 -12.08 53.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.444 1.098 . . . . 0.0 112.67 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.09 79.87 2.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.872 1.669 . . . . 0.0 110.025 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -83.13 -6.81 59.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.086 1.354 . . . . 0.0 114.198 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.94 -11.54 61.48 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.024 1.773 . . . . 0.0 114.151 169.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 61.56 26.35 16.08 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.388 1.875 . . . . 0.0 113.151 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -32.51 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.164 1.786 . . . . 0.0 112.14 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -112.38 -15.69 13.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.949 1.7 . . . . 0.0 112.458 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -62.0 -22.62 65.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 113.86 170.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.28 152.16 79.71 Favored Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.632 1.573 . . . . 0.0 112.123 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.38 150.75 64.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.709 3.606 . . . . 0.0 112.764 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.89 123.41 83.6 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.216 1.007 . . . . 0.0 109.681 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.36 119.64 5.63 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.263 2.642 . . . . 0.0 111.292 -175.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.74 -16.76 62.22 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.5 m -68.61 -27.48 66.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.048 0.939 . . . . 0.0 112.684 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -94.73 -34.85 12.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.289 1.036 . . . . 0.0 112.039 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.44 81.99 66.51 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.165 1.386 . . . . 0.0 110.193 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.96 -13.03 17.63 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.199 2.599 . . . . 0.0 113.044 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -99.25 10.21 41.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.604 1.561 . . . . 0.0 113.218 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.18 -36.24 68.14 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.808 -1.182 . . . . 0.0 112.734 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.05 -20.09 56.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.558 1.543 . . . . 0.0 113.483 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.33 -30.95 54.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 112.092 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.6 -37.32 15.74 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.903 0.881 . . . . 0.0 112.477 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.8 mm -118.1 118.43 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.168 1.387 . . . . 0.0 111.081 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -76.36 -27.29 56.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 114.176 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 76.19 30.79 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 125.543 1.537 . . . . 0.0 112.111 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.41 145.86 60.51 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.249 2.632 . . . . 0.0 111.145 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -158.38 153.69 25.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 111.876 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -150.83 171.5 17.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 127.354 2.262 . . . . 0.0 110.237 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.18 -23.39 66.58 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -66.45 -44.82 81.75 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.717 0.69 . . . . 0.0 111.371 171.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -67.05 -38.77 86.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.276 1.031 . . . . 0.0 111.126 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mmm -54.47 -55.25 30.83 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.815 0.846 . . . . 0.0 111.045 170.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.49 -46.67 86.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.831 0.852 . . . . 0.0 112.941 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.25 -45.26 95.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.106 0.962 . . . . 0.0 111.777 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.593 0.757 . . . . 0.0 111.907 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.51 -43.6 76.46 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.017 0.927 . . . . 0.0 111.979 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.32 -12.27 61.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.09 7.18 46.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.783 1.633 . . . . 0.0 113.044 171.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 65.1 28.04 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.498 1.919 . . . . 0.0 113.728 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -68.61 -23.16 64.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.708 1.203 . . . . 0.0 113.379 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.32 100.93 11.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.805 1.242 . . . . 0.0 111.57 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.34 -4.79 44.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.305 1.442 . . . . 0.0 113.01 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -153.44 149.41 27.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.291 1.836 . . . . 0.0 109.97 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.48 -24.93 67.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.306 0.642 . . . . 0.0 111.995 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.12 -42.16 94.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.079 0.952 . . . . 0.0 112.73 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.05 -36.28 64.36 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.859 0.863 . . . . 0.0 112.212 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.74 -38.01 87.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.963 0.905 . . . . 0.0 111.594 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -45.51 67.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.956 1.302 . . . . 0.0 111.27 173.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.42 -35.82 82.06 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.12 -26.13 61.11 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.476 -0.765 . . . . 0.0 112.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.61 -41.21 72.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.043 -1.036 . . . . 0.0 110.447 169.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -58.98 -30.36 67.89 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.651 -0.656 . . . . 0.0 112.066 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 7.5 tp -62.77 -45.64 91.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.048 0.84 . . . . 0.0 111.593 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.27 -47.06 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.149 0.979 . . . . 0.0 110.773 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.21 -57.7 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.042 0.937 . . . . 0.0 110.677 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.3 m -65.46 -31.0 71.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.95 -32.6 74.19 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.255 -0.903 . . . . 0.0 112.538 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -74.01 -42.51 60.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.78 -0.575 . . . . 0.0 111.294 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.94 -29.22 62.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.653 1.181 . . . . 0.0 112.621 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.74 -28.79 66.09 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.602 1.161 . . . . 0.0 113.411 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -129.34 70.06 1.41 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.286 1.434 . . . . 0.0 111.15 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -161.92 154.93 20.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.533 1.533 . . . . 0.0 112.348 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.02 159.74 24.75 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.613 0.721 . . . . 0.0 109.968 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.38 6.24 2.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -169.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -148.81 24.98 0.95 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.762 1.225 . . . . 0.0 113.817 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 82.0 p -88.05 156.9 19.06 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.873 0.844 . . . . 0.0 112.072 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.05 -41.2 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.222 1.009 . . . . 0.0 111.166 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.71 -40.77 84.28 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.819 1.247 . . . . 0.0 112.683 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.21 -49.63 76.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.464 0.706 . . . . 0.0 110.867 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -70.57 -24.12 62.71 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.89 86.16 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.602 1.092 . . . . 0.0 111.674 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.36 74.7 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 112.607 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.85 -41.96 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.602 0.637 . . . . 0.0 110.715 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -67.72 -35.06 78.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.004 0.82 . . . . 0.0 112.703 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.79 -43.4 98.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.216 0.916 . . . . 0.0 111.851 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.76 -32.01 71.33 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.47 -66.13 0.93 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 111.457 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.35 -47.74 66.65 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.732 0.813 . . . . 0.0 112.607 -170.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.432 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -80.63 -10.08 85.64 Favored Glycine 0 CA--C 1.532 1.144 0 O-C-N 121.747 -0.595 . . . . 0.0 113.295 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.24 -35.38 90.29 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.56 0.744 . . . . 0.0 111.738 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.432 HG23 ' HA2' ' B' ' 140' ' ' GLY . 48.9 t -63.37 -41.24 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 111.543 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.09 -31.09 68.49 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.541 -0.725 . . . . 0.0 112.059 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -71.73 -51.02 24.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.851 0.86 . . . . 0.0 112.526 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.63 -34.65 78.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.271 1.028 . . . . 0.0 112.154 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.26 -23.6 23.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 112.874 -169.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -65.02 -28.61 69.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.389 1.076 . . . . 0.0 112.331 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.07 -27.42 68.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.117 0.967 . . . . 0.0 113.269 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -70.08 -24.45 63.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.386 1.074 . . . . 0.0 112.628 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.91 -43.72 12.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.494 1.118 . . . . 0.0 112.159 170.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -64.84 -31.33 72.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.12 -38.04 75.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.438 1.095 . . . . 0.0 112.643 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.14 -19.6 62.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.161 0.984 . . . . 0.0 113.223 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.22 -28.27 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.129 0.971 . . . . 0.0 110.997 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.42 -49.81 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.548 -0.72 . . . . 0.0 110.106 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.93 -43.38 92.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.892 0.477 . . . . 0.0 111.589 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.22 -33.19 75.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.97 -42.26 63.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.43 0.692 . . . . 0.0 112.351 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.5 m -65.38 -43.55 90.34 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.812 1.245 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.25 -39.36 72.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.934 0.894 . . . . 0.0 112.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -68.62 -24.44 64.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.403 0.681 . . . . 0.0 112.499 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.65 -23.2 34.35 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.403 -0.811 . . . . 0.0 113.035 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.08 -26.76 64.14 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.08 1.309 . . . . 0.0 111.331 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.55 -19.87 62.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.645 -0.659 . . . . 0.0 112.498 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.71 -1.2 37.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.487 1.115 . . . . 0.0 112.753 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -106.79 -26.16 11.4 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.23 1.412 . . . . 0.0 112.618 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -92.1 81.91 5.06 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.093 1.357 . . . . 0.0 109.469 169.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.4 t -84.26 -5.38 59.25 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.785 1.234 . . . . 0.0 113.796 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.75 -11.89 61.38 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.562 1.553 . . . . 0.0 113.734 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 60.82 26.38 16.22 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.335 1.854 . . . . 0.0 113.12 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -75.88 -31.34 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.687 1.595 . . . . 0.0 112.249 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.77 -17.91 12.43 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.626 1.571 . . . . 0.0 112.347 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -59.74 -22.39 62.0 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -135.06 149.12 69.4 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 125.881 1.673 . . . . 0.0 112.646 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -66.82 150.73 83.23 Favored 'Trans proline' 0 CA--C 1.537 0.65 1 C-N-CA 125.463 4.108 . . . . 0.0 112.817 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.69 128.05 93.52 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.246 1.018 . . . . 0.0 110.446 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.0 115.12 4.19 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.341 2.694 . . . . 0.0 110.63 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.83 -22.91 63.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.27 -18.08 56.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 113.939 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.3 9.0 9.71 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.213 1.405 . . . . 0.0 113.375 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -149.65 77.98 8.5 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.275 1.83 . . . . 0.0 109.16 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.24 -12.08 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.166 2.577 . . . . 0.0 113.13 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -100.55 10.12 41.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.415 1.486 . . . . 0.0 113.288 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.2 -39.44 72.45 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.909 -1.12 . . . . 0.0 112.576 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.5 mt -78.3 -20.55 51.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.092 1.357 . . . . 0.0 113.29 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.23 -27.95 38.65 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -97.84 -24.2 15.53 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -119.34 119.89 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.768 1.227 . . . . 0.0 110.884 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.18 -29.09 42.75 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -130.45 78.27 74.51 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 126.392 1.877 . . . . 0.0 110.668 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.36 131.69 10.79 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.847 2.365 . . . . 0.0 110.325 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.8 ttt -157.45 163.97 37.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.886 0.874 . . . . 0.0 112.78 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -153.41 162.99 40.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.728 1.611 . . . . 0.0 112.339 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -54.89 -32.04 60.53 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.382 1.073 . . . . 0.0 113.228 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -64.9 -38.28 90.44 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.865 0.757 . . . . 0.0 111.776 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 15.5 m -68.04 -38.58 82.66 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.954 0.902 . . . . 0.0 111.094 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.3 mtp -58.53 -52.16 66.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.961 0.504 . . . . 0.0 111.127 170.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -56.67 -47.58 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.78 1.232 . . . . 0.0 112.636 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.16 -46.07 88.91 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.171 0.988 . . . . 0.0 112.011 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.79 -36.05 82.44 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.31 -40.39 70.85 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.144 -0.972 . . . . 0.0 111.592 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.54 -13.57 62.17 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.132 0.973 . . . . 0.0 113.297 171.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.74 4.31 47.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.875 1.67 . . . . 0.0 113.007 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 64.55 27.05 13.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.572 1.949 . . . . 0.0 113.817 175.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -67.9 -18.98 64.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -104.54 103.26 12.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.782 1.233 . . . . 0.0 111.839 -174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.26 -6.09 28.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.417 1.487 . . . . 0.0 112.924 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -142.28 144.46 33.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.157 1.783 . . . . 0.0 109.755 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.04 -26.88 67.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.21 0.604 . . . . 0.0 112.491 -173.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.04 -40.72 90.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.7 1.2 . . . . 0.0 113.184 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.82 -20.84 48.71 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.143 -0.973 . . . . 0.0 112.732 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -83.66 -11.2 57.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.744 1.618 . . . . 0.0 112.664 170.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.85 -42.06 8.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.224 1.41 . . . . 0.0 111.075 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.22 -30.16 71.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.007 1.323 . . . . 0.0 114.49 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -80.46 -28.04 37.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.226 1.01 . . . . 0.0 113.508 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.04 -42.91 84.02 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.463 169.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -56.52 -35.63 68.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.632 0.773 . . . . 0.0 112.152 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -41.97 98.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.055 0.843 . . . . 0.0 112.087 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.42 -40.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.72 1.208 . . . . 0.0 111.415 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.9 -54.12 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.374 0.67 . . . . 0.0 110.075 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -30.82 71.85 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -52.82 -34.04 52.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.652 1.181 . . . . 0.0 112.575 171.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 6.2 t -82.57 -40.42 20.94 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.958 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.78 -20.35 64.34 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.922 0.889 . . . . 0.0 112.19 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -82.9 -29.02 29.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.514 1.525 . . . . 0.0 115.031 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -137.91 16.95 2.85 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.33 135.84 48.49 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.097 -1.627 . . . . 0.0 110.799 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.72 158.04 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.106 0.955 . . . . 0.0 113.05 -170.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -71.5 10.46 0.63 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.32 18.33 1.72 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.667 1.587 . . . . 0.0 113.06 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 45.7 p -109.71 159.75 16.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.9 1.28 . . . . 0.0 111.599 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.22 -43.34 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.339 1.056 . . . . 0.0 112.174 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -66.33 -47.41 73.57 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.167 0.987 . . . . 0.0 111.988 -171.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.59 -43.38 84.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 111.781 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.43 61.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.98 -31.69 72.07 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.692 -1.255 . . . . 0.0 112.888 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.19 -33.69 70.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.215 -0.928 . . . . 0.0 112.697 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.53 -37.98 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.512 0.725 . . . . 0.0 110.452 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.69 -44.32 96.67 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.66 0.664 . . . . 0.0 111.701 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.55 -45.33 94.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.752 0.821 . . . . 0.0 112.508 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.26 -31.74 70.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.236 1.015 . . . . 0.0 113.191 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -87.68 -66.0 0.96 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.003 1.321 . . . . 0.0 111.57 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -71.17 -49.74 40.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.638 0.775 . . . . 0.0 112.255 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.464 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -77.51 -12.37 84.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.692 -0.63 . . . . 0.0 113.283 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.04 82.11 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 169.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.45 72.46 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.104 0.952 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.464 HG23 ' HA2' ' B' ' 140' ' ' GLY . 60.8 t -63.55 -34.96 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.054 0.942 . . . . 0.0 112.164 -174.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 76.7 mt -73.69 -38.78 64.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.534 0.733 . . . . 0.0 111.283 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -68.18 -43.67 77.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.753 1.221 . . . . 0.0 113.422 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -66.71 -34.5 77.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.211 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.11 -25.73 20.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.915 0.886 . . . . 0.0 112.937 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -57.15 -29.19 63.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.891 1.276 . . . . 0.0 111.984 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.22 -29.07 65.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.839 1.256 . . . . 0.0 113.18 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.04 -21.24 59.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.742 1.217 . . . . 0.0 112.812 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.29 -40.62 12.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.741 1.217 . . . . 0.0 111.995 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.03 -33.83 76.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 CA-C-O 119.831 -0.427 . . . . 0.0 113.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.4 -37.99 73.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.612 1.165 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -72.81 -16.73 61.61 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.114 0.966 . . . . 0.0 113.491 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -76.85 -31.55 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.643 1.177 . . . . 0.0 110.76 171.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.92 -48.33 80.9 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.81 -46.53 71.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.103 0.561 . . . . 0.0 111.8 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -63.25 -35.04 79.01 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.58 -38.94 62.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.591 0.757 . . . . 0.0 112.276 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -65.88 -46.93 76.56 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.027 1.331 . . . . 0.0 111.242 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.64 -40.68 79.79 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.702 0.801 . . . . 0.0 112.574 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.68 -25.46 65.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.217 0.607 . . . . 0.0 112.614 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -78.05 -33.06 51.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.387 0.994 . . . . 0.0 111.84 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.08 -33.69 74.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.77 1.168 . . . . 0.0 111.497 169.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.54 -19.66 62.88 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -82.17 -19.28 40.22 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.044 0.838 . . . . 0.0 113.03 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -78.91 -16.18 57.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -97.59 80.45 2.83 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.551 1.14 . . . . 0.0 110.52 172.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 62.7 p -84.38 -5.81 59.32 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.853 1.261 . . . . 0.0 114.23 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.04 -12.55 60.1 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.952 1.739 . . . . 0.0 113.976 170.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 60.99 27.51 17.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.345 1.858 . . . . 0.0 113.108 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -77.24 -29.97 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.755 1.622 . . . . 0.0 112.032 -173.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -117.15 -13.86 10.52 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.049 1.74 . . . . 0.0 112.817 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -58.36 -23.05 55.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.569 1.548 . . . . 0.0 113.929 170.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -132.59 155.81 80.8 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 126.076 1.75 . . . . 0.0 111.608 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.81 151.41 78.59 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.464 3.442 . . . . 0.0 111.551 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.78 126.01 87.66 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.89 0.876 . . . . 0.0 109.866 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 117.2 4.91 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.39 2.727 . . . . 0.0 111.054 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.59 -23.9 63.6 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -61.02 -18.08 55.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.068 1.347 . . . . 0.0 113.954 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.93 8.52 9.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.115 1.366 . . . . 0.0 113.584 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.93 81.69 8.2 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.115 1.766 . . . . 0.0 109.25 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.2 -7.26 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.208 2.605 . . . . 0.0 113.079 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -108.75 12.88 25.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.805 1.642 . . . . 0.0 113.126 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -56.11 -45.08 79.62 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.871 -1.143 . . . . 0.0 112.256 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.86 -19.1 41.67 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.733 1.213 . . . . 0.0 113.265 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.43 -23.37 53.94 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.348 1.059 . . . . 0.0 112.344 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -98.57 -40.2 8.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.037 0.935 . . . . 0.0 113.413 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.412 HD13 ' HE3' ' B' ' 121' ' ' LYS . 30.9 mm -105.51 114.78 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.754 1.161 . . . . 0.0 111.071 -175.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -78.79 -27.23 44.45 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -137.92 77.19 38.45 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.436 1.494 . . . . 0.0 110.335 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.56 153.35 30.41 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.152 3.234 . . . . 0.0 112.329 -172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttm -166.0 165.2 18.14 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.005 1.722 . . . . 0.0 112.198 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -164.98 168.03 17.88 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.367 2.667 . . . . 0.0 110.215 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.06 -29.86 70.78 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -72.41 -38.45 68.4 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.251 0.932 . . . . 0.0 111.016 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 41.3 m -59.98 -46.36 89.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 76.6 mtp -58.95 -46.64 87.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.058 0.845 . . . . 0.0 112.013 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.38 -42.29 86.72 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.679 0.792 . . . . 0.0 112.958 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.78 -44.01 94.63 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.76 0.824 . . . . 0.0 111.895 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.43 -35.75 78.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.304 0.642 . . . . 0.0 112.183 172.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.36 -42.95 61.61 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.585 -1.322 . . . . 0.0 112.136 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.33 -10.96 60.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.953 0.901 . . . . 0.0 113.285 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.61 8.51 41.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.092 1.757 . . . . 0.0 112.947 171.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 62.58 24.85 14.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.074 1.749 . . . . 0.0 113.778 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -67.91 -24.66 65.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.303 1.041 . . . . 0.0 112.98 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -90.89 106.94 18.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 111.845 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.38 -8.35 19.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.446 1.499 . . . . 0.0 112.865 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -143.42 141.37 30.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.678 1.991 . . . . 0.0 109.803 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -66.57 -26.36 67.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 122.889 0.476 . . . . 0.0 111.759 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.04 -45.75 79.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.67 -33.22 62.44 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.07 0.948 . . . . 0.0 112.274 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.3 -38.19 81.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.645 1.178 . . . . 0.0 111.927 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.45 -41.77 69.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.755 1.222 . . . . 0.0 111.629 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.954 -1.091 . . . . 0.0 112.94 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.68 -26.6 60.81 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.547 -0.72 . . . . 0.0 112.654 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -70.1 -43.56 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -57.62 -34.62 69.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.182 0.593 . . . . 0.0 111.889 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.16 -45.09 94.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.046 0.839 . . . . 0.0 111.923 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 99.1 mt -59.28 -47.25 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.897 0.879 . . . . 0.0 110.947 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.77 -52.99 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.168 0.987 . . . . 0.0 110.588 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 71.9 m -62.0 -34.79 76.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.87 -19.52 65.75 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.163 -0.96 . . . . 0.0 113.244 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.57 -56.37 4.59 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.61 -26.05 63.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.158 1.783 . . . . 0.0 113.624 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.412 ' HE3' HD13 ' B' ' 84' ' ' ILE . 7.9 ttpp -85.3 -11.79 53.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -142.97 60.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.522 1.929 . . . . 0.0 112.491 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -156.19 -173.36 4.47 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.917 1.287 . . . . 0.0 112.632 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.69 152.95 41.5 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.081 1.352 . . . . 0.0 110.376 170.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -74.08 8.98 1.76 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -169.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -120.62 -4.74 9.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.797 1.639 . . . . 0.0 113.677 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 31.1 p -84.9 161.26 19.92 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.089 0.956 . . . . 0.0 112.309 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.6 tt -60.98 -40.95 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.639 0.776 . . . . 0.0 111.551 169.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.68 -35.06 76.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.778 1.231 . . . . 0.0 112.493 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -60.15 -52.95 63.16 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.787 0.835 . . . . 0.0 111.308 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -67.69 -30.45 69.98 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.7 89.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.223 0.92 . . . . 0.0 112.472 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.75 78.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.435 0.694 . . . . 0.0 112.449 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.89 -43.18 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -67.69 -32.01 72.37 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.683 0.793 . . . . 0.0 112.691 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.21 -44.04 80.57 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.738 . . . . 0.0 111.475 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -60.35 -28.27 68.03 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -83.82 -69.36 0.64 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.999 1.319 . . . . 0.0 111.539 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.83 -41.55 71.36 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.558 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -80.79 -18.61 69.84 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-N 118.779 0.718 . . . . 0.0 112.872 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.22 -34.45 89.96 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 117.977 0.889 . . . . 0.0 111.03 170.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.22 95.17 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.783 0.792 . . . . 0.0 112.176 169.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.558 HG23 ' HA2' ' B' ' 140' ' ' GLY . 18.6 t -60.61 -38.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.78 0.832 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.09 -35.19 69.14 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.811 -0.556 . . . . 0.0 111.705 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -44.79 73.72 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 112.801 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -67.96 -23.95 65.11 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.46 1.104 . . . . 0.0 113.094 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.86 -30.75 12.96 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.768 0.827 . . . . 0.0 112.634 -173.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.65 -42.91 89.43 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.724 1.21 . . . . 0.0 112.237 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -58.05 -22.03 48.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -75.93 -20.93 57.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.47 1.108 . . . . 0.0 112.441 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.71 -43.07 10.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.226 1.41 . . . . 0.0 111.74 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.42 -28.63 69.39 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.94 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.69 -40.71 92.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.755 1.222 . . . . 0.0 112.498 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.46 -30.97 69.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.194 0.998 . . . . 0.0 111.786 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.3 -32.98 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.02 0.928 . . . . 0.0 111.533 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.05 -39.9 96.12 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.668 1.122 . . . . 0.0 110.888 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.05 -44.35 72.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.917 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.61 -31.28 72.23 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.409 0.549 . . . . 0.0 112.359 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -70.1 -37.49 75.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.517 1.127 . . . . 0.0 112.526 172.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.9 m -79.75 -44.38 20.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.532 1.533 . . . . 0.0 111.677 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.81 -39.43 77.55 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.77 0.828 . . . . 0.0 112.477 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.99 -12.85 60.43 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.89 -27.66 23.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.345 1.058 . . . . 0.0 111.911 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -30.43 69.6 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.886 1.221 . . . . 0.0 111.6 169.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -70.46 -20.37 62.89 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.69 -15.2 61.7 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.921 0.782 . . . . 0.0 112.595 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -90.81 6.75 43.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.494 1.518 . . . . 0.0 113.266 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -133.71 75.27 1.59 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.702 1.601 . . . . 0.0 110.853 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 75.8 p -81.38 -7.82 59.64 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.817 1.647 . . . . 0.0 114.238 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.57 -11.04 62.77 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.981 1.753 . . . . 0.0 114.348 169.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 56.82 33.67 23.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.128 1.771 . . . . 0.0 113.323 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 53.7 mt -77.0 -26.07 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.494 1.518 . . . . 0.0 111.736 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.89 -12.99 9.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.348 1.859 . . . . 0.0 112.877 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.3 m -53.43 -27.97 27.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.78 1.632 . . . . 0.0 113.807 169.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -138.25 158.85 70.12 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.622 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.79 153.7 77.02 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 124.445 3.43 . . . . 0.0 111.951 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -62.24 127.24 89.34 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 123.938 0.895 . . . . 0.0 110.019 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.34 114.4 3.62 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.389 2.726 . . . . 0.0 110.867 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.9 -25.67 64.72 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.146 0.578 . . . . 0.0 112.28 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -61.14 -17.94 55.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.285 1.434 . . . . 0.0 113.933 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -123.61 6.0 8.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.151 1.381 . . . . 0.0 113.679 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 t -148.84 76.24 9.74 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.006 1.722 . . . . 0.0 109.664 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.58 -11.24 20.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.084 2.523 . . . . 0.0 113.445 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -103.5 7.43 37.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.331 1.452 . . . . 0.0 113.072 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -57.49 -49.01 77.68 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.036 -1.04 . . . . 0.0 112.107 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.41 -18.66 60.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.833 1.253 . . . . 0.0 113.231 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.06 -16.1 59.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.309 1.043 . . . . 0.0 112.774 173.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.32 -32.07 6.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.983 1.313 . . . . 0.0 113.572 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 mm -99.74 110.8 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.911 1.284 . . . . 0.0 110.081 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -30.57 48.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 0.0 113.12 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -132.51 70.52 79.54 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.022 1.729 . . . . 0.0 111.939 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.57 144.26 39.75 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.259 2.64 . . . . 0.0 111.609 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.402 ' HG3' HD23 ' B' ' 114' ' ' LEU . 69.9 mmm -152.05 168.16 26.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.76 2.024 . . . . 0.0 111.728 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -166.77 164.74 16.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.269 2.228 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.25 -27.43 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.86 -41.44 82.9 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.059 0.845 . . . . 0.0 111.365 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -64.94 -42.61 94.51 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.237 1.015 . . . . 0.0 110.919 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.5 mmm -57.36 -49.27 76.7 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.129 0.422 . . . . 0.0 110.788 173.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.43 -44.4 89.11 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.522 -0.736 . . . . 0.0 112.81 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.75 -43.03 90.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.102 0.961 . . . . 0.0 112.215 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.85 -35.76 77.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.778 0.831 . . . . 0.0 111.8 172.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.37 -42.01 62.71 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.76 -1.213 . . . . 0.0 111.84 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.53 -19.17 63.37 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.604 1.161 . . . . 0.0 112.815 172.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.33 6.55 40.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.325 1.85 . . . . 0.0 113.25 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 62.78 26.87 15.82 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.938 1.695 . . . . 0.0 113.835 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -66.86 -25.78 66.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.996 0.918 . . . . 0.0 112.853 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -89.88 109.61 20.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.681 1.193 . . . . 0.0 111.411 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.09 -10.62 16.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.147 1.379 . . . . 0.0 113.154 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.53 148.13 32.87 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.402 1.881 . . . . 0.0 109.852 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -66.48 -28.32 68.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.029 0.531 . . . . 0.0 112.087 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.45 -44.06 93.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.924 1.289 . . . . 0.0 112.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -72.2 -35.19 68.87 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.947 0.794 . . . . 0.0 112.241 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -67.12 -37.04 83.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.397 1.079 . . . . 0.0 111.759 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.67 -37.72 65.18 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 111.95 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.2 -34.68 71.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.782 -1.199 . . . . 0.0 113.557 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -69.44 -29.18 66.83 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.543 -0.723 . . . . 0.0 112.14 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -66.34 -44.46 83.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.303 -0.873 . . . . 0.0 111.185 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -59.07 -36.5 75.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.691 -0.631 . . . . 0.0 111.994 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' B' ' 88' ' ' MET . 4.2 tp -63.58 -44.01 95.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.038 0.935 . . . . 0.0 111.613 174.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.02 -44.68 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.268 1.027 . . . . 0.0 111.643 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 66.0 t -57.75 -51.98 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.596 0.758 . . . . 0.0 110.651 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 t -59.84 -36.49 76.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.099 0.96 . . . . 0.0 113.365 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.57 -21.59 66.14 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.933 -1.104 . . . . 0.0 113.7 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.33 -52.52 9.04 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.723 0.692 . . . . 0.0 110.278 170.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.97 -24.75 67.2 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.102 1.361 . . . . 0.0 112.895 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -79.64 -18.3 51.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.715 . . . . 0.0 113.887 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -146.11 83.08 1.62 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.671 1.188 . . . . 0.0 112.802 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -169.71 -179.91 3.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.402 2.281 . . . . 0.0 111.092 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.63 154.98 18.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.59 1.156 . . . . 0.0 111.04 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -70.13 2.46 3.64 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 -169.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -138.61 14.0 2.74 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.969 1.308 . . . . 0.0 114.216 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.3 p -87.01 161.38 18.22 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.19 -0.944 . . . . 0.0 113.315 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 13.8 tt -59.52 -35.84 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.168 0.987 . . . . 0.0 111.216 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -72.92 -36.8 67.32 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 125.129 1.372 . . . . 0.0 112.966 -174.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.74 -51.11 71.18 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.236 0.541 . . . . 0.0 109.674 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.03 -31.68 73.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.26 1.024 . . . . 0.0 112.961 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.34 94.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.494 1.043 . . . . 0.0 112.215 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.63 75.04 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.484 0.713 . . . . 0.0 112.079 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.3 -39.61 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.141 0.576 . . . . 0.0 111.018 171.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -65.76 -39.48 91.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.734 0.813 . . . . 0.0 112.109 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.68 -49.22 77.22 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.86 0.754 . . . . 0.0 111.542 170.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.9 -30.32 67.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.082 0.953 . . . . 0.0 113.484 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.07 -66.87 0.88 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.962 1.305 . . . . 0.0 111.826 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -76.29 -28.79 57.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -89.96 -17.36 54.07 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 119.158 0.89 . . . . 0.0 112.581 169.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.4 -35.93 92.39 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-N 118.349 1.075 . . . . 0.0 110.627 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.0 93.69 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.099 0.96 . . . . 0.0 112.419 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.534 HG23 ' HA2' ' B' ' 140' ' ' GLY . 25.9 t -63.2 -37.81 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.667 1.187 . . . . 0.0 110.998 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.22 -33.12 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.982 0.913 . . . . 0.0 111.573 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -67.96 -52.88 30.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.401 1.08 . . . . 0.0 112.827 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.5 -33.68 72.97 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.11 0.964 . . . . 0.0 112.513 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.46 -25.41 23.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 0.0 113.001 -169.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -59.73 -32.53 70.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.503 1.121 . . . . 0.0 111.955 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.34 -30.01 69.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.301 1.04 . . . . 0.0 113.208 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.5 -19.89 60.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.857 1.263 . . . . 0.0 112.614 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.11 -43.6 10.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 111.933 170.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.85 -30.04 71.02 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.853 0.861 . . . . 0.0 113.309 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.0 -38.04 75.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 112.514 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.03 -15.53 61.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.545 1.138 . . . . 0.0 113.531 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 68.6 mt -78.9 -31.22 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.716 1.206 . . . . 0.0 110.696 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.93 -46.69 86.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.406 -0.809 . . . . 0.0 110.42 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.71 -45.8 74.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.723 0.409 . . . . 0.0 111.633 -172.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -64.15 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.394 0.543 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.2 -22.19 42.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.584 1.154 . . . . 0.0 113.091 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.1 m -82.39 -44.84 15.62 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.822 1.249 . . . . 0.0 111.077 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.53 -37.96 68.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 113.42 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.46 -21.22 59.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -80.26 -26.51 38.96 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.311 -0.868 . . . . 0.0 111.94 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -28.22 69.36 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.224 0.92 . . . . 0.0 111.9 170.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.89 -22.5 59.7 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.73 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -8.38 54.83 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.469 0.708 . . . . 0.0 112.446 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -102.18 2.64 37.52 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.132 1.773 . . . . 0.0 112.686 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -118.9 78.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.907 2.083 . . . . 0.0 109.222 170.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.7 p -82.13 -7.57 59.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.138 1.375 . . . . 0.0 114.111 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.26 65.31 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.015 1.769 . . . . 0.0 113.808 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 61.97 25.91 15.6 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.513 1.925 . . . . 0.0 112.995 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.55 -35.84 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.781 1.632 . . . . 0.0 112.262 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -110.38 -19.35 12.99 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.319 1.448 . . . . 0.0 112.275 -175.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -58.98 -19.91 47.82 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.511 1.124 . . . . 0.0 113.784 172.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -127.85 151.54 75.79 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 125.619 1.567 . . . . 0.0 111.954 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.28 148.68 68.71 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.955 3.77 . . . . 0.0 112.53 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.96 124.95 88.08 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.858 0.863 . . . . 0.0 110.15 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.16 119.64 6.13 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.499 2.799 . . . . 0.0 111.16 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.36 -22.03 61.95 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.6 p -62.01 -19.62 63.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.969 1.308 . . . . 0.0 114.046 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -121.22 7.84 10.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.26 1.424 . . . . 0.0 113.383 170.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 32.6 t -146.07 80.29 10.39 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.04 1.736 . . . . 0.0 109.592 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.68 -9.24 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.115 2.544 . . . . 0.0 113.085 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -110.0 11.85 23.86 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.613 1.565 . . . . 0.0 113.227 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.37 -41.47 65.89 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.041 -1.037 . . . . 0.0 111.686 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.55 -18.91 50.74 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.138 1.775 . . . . 0.0 113.091 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.44 -33.98 23.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.57 1.148 . . . . 0.0 112.103 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -87.28 -29.17 21.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -116.94 121.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.159 0.984 . . . . 0.0 110.987 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.63 -31.03 61.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.023 1.329 . . . . 0.0 113.295 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.51 71.4 71.42 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.227 1.811 . . . . 0.0 110.931 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.39 131.34 18.79 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.646 2.898 . . . . 0.0 110.351 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 14.1 ttt -160.28 154.82 23.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.664 1.185 . . . . 0.0 111.877 -170.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.45 172.72 14.0 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.013 2.125 . . . . 0.0 111.012 -174.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -57.02 -30.98 64.66 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -68.75 -38.46 80.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.552 0.615 . . . . 0.0 111.646 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -65.61 -38.66 90.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.088 0.955 . . . . 0.0 111.208 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 25.9 mmm -59.01 -52.19 66.82 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.612 0.642 . . . . 0.0 110.909 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -57.45 -44.61 84.9 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.86 -45.28 94.47 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.073 0.949 . . . . 0.0 111.972 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -62.84 -34.61 77.7 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -72.83 -42.6 63.62 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.528 -0.732 . . . . 0.0 111.807 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.21 -13.14 62.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.806 0.842 . . . . 0.0 113.002 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.5 3.08 48.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.119 1.767 . . . . 0.0 112.961 170.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 63.94 25.21 13.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.845 2.058 . . . . 0.0 113.936 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -74.59 -14.04 60.73 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -90.93 104.33 16.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.83 1.252 . . . . 0.0 111.005 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.17 -10.05 20.77 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.954 1.302 . . . . 0.0 113.005 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -145.04 146.14 31.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.622 1.969 . . . . 0.0 109.46 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.76 -25.74 66.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.522 0.329 . . . . 0.0 111.817 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.45 -48.58 71.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.291 1.436 . . . . 0.0 112.374 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.06 -33.79 65.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.521 0.728 . . . . 0.0 112.505 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.05 -37.64 84.42 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.599 0.759 . . . . 0.0 111.728 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.97 -43.23 62.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.598 1.159 . . . . 0.0 111.479 173.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.07 -35.4 80.43 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.109 -0.994 . . . . 0.0 112.98 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.5 -21.08 61.26 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.575 -0.703 . . . . 0.0 112.63 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -76.34 -42.4 45.0 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.22 -0.925 . . . . 0.0 109.734 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -59.8 -32.29 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.59 -0.693 . . . . 0.0 112.408 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.1 -47.31 85.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.405 1.082 . . . . 0.0 111.125 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.87 -44.45 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.152 0.981 . . . . 0.0 111.204 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.75 -52.96 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.836 0.854 . . . . 0.0 110.606 174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.5 t -60.93 -37.53 82.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.349 1.059 . . . . 0.0 112.804 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.08 -27.52 69.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.9 -49.66 23.8 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.41 -0.806 . . . . 0.0 111.219 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 55.3 mt -64.36 -26.48 68.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.537 1.135 . . . . 0.0 112.519 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.53 -19.27 49.96 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.718 1.607 . . . . 0.0 114.025 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -139.25 62.31 1.53 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.858 1.263 . . . . 0.0 112.737 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.16 163.45 20.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.118 1.367 . . . . 0.0 111.898 172.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.3 165.38 24.95 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.958 0.885 . . . . 0.0 112.29 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -73.93 -1.04 18.01 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -150.18 19.12 0.86 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -169.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 35.7 p -89.84 163.2 15.12 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.225 1.41 . . . . 0.0 113.196 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 tt -56.24 -45.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.61 1.164 . . . . 0.0 111.778 170.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -67.19 -45.03 78.14 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.22 1.008 . . . . 0.0 112.024 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -58.27 -47.07 84.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.837 0.855 . . . . 0.0 111.221 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -73.89 -30.51 62.65 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.538 0.735 . . . . 0.0 112.531 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.14 74.17 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.924 -1.11 . . . . 0.0 112.613 171.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.12 -36.22 74.65 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.505 -0.747 . . . . 0.0 112.581 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.59 -40.63 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 170.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -60.16 -42.79 95.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.874 0.87 . . . . 0.0 111.714 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.9 -47.66 84.87 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.083 0.953 . . . . 0.0 112.299 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -59.05 -33.56 70.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.7 0.8 . . . . 0.0 113.125 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.45 -65.94 0.95 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.981 1.312 . . . . 0.0 111.332 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.45 -36.34 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -87.75 -18.1 57.06 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.236 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.51 89.42 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.387 1.094 . . . . 0.0 110.951 169.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.77 99.36 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.7 0.8 . . . . 0.0 112.054 169.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.563 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.4 t -62.87 -39.28 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 65.5 mt -70.72 -37.26 73.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.328 0.651 . . . . 0.0 111.273 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.33 -47.02 68.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.527 1.131 . . . . 0.0 112.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -64.17 -33.32 75.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.931 0.892 . . . . 0.0 112.536 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.99 -29.73 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.872 1.269 . . . . 0.0 112.87 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.42 -30.95 61.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.415 1.486 . . . . 0.0 112.613 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -59.71 -28.67 67.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -74.77 -17.06 60.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.367 1.067 . . . . 0.0 112.84 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.47 -40.38 10.87 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.733 1.213 . . . . 0.0 112.083 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.33 -26.1 62.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 O-C-N 120.932 -1.105 . . . . 0.0 113.783 174.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.024 0 CA-C-O 119.875 -0.403 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -58.12 -37.48 74.67 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.496 1.119 . . . . 0.0 112.481 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.55 -16.44 61.26 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.43 1.092 . . . . 0.0 113.603 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.69 -31.99 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.526 1.13 . . . . 0.0 110.656 170.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.23 -48.65 79.03 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.839 -0.538 . . . . 0.0 110.013 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.23 -45.89 75.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.865 0.466 . . . . 0.0 111.877 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -63.97 -33.12 75.0 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.57 -33.0 42.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.979 0.912 . . . . 0.0 112.776 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.7 m -72.6 -40.06 66.84 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.682 1.193 . . . . 0.0 111.451 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.34 -42.14 77.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.985 0.914 . . . . 0.0 112.554 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.89 -30.25 71.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.584 0.753 . . . . 0.0 112.497 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.13 -12.53 59.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.771 0.829 . . . . 0.0 112.324 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.51 -37.63 13.75 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.181 0.9 . . . . 0.0 109.119 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.5 -31.43 72.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.825 0.85 . . . . 0.0 112.72 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.7 -16.64 64.37 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -85.1 -20.07 30.9 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.228 1.011 . . . . 0.0 112.633 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -92.34 78.14 5.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.795 1.638 . . . . 0.0 110.298 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.2 t -82.57 -3.24 55.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.061 1.344 . . . . 0.0 113.797 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.71 -11.65 57.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.806 1.67 . . . . 0.0 113.516 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.08 26.09 15.41 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.598 1.959 . . . . 0.0 113.143 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.75 -35.48 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.186 1.394 . . . . 0.0 112.18 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -109.42 -20.5 12.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.33 1.452 . . . . 0.0 111.95 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -57.37 -22.84 45.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.896 1.278 . . . . 0.0 113.907 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -132.95 153.33 80.95 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.874 1.67 . . . . 0.0 111.67 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.94 148.94 77.23 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 124.707 3.605 . . . . 0.0 113.16 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.52 123.94 80.93 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 124.098 0.959 . . . . 0.0 109.631 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.05 123.82 8.64 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.19 2.593 . . . . 0.0 111.671 -172.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.62 -14.53 61.2 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.4 t -69.24 -32.54 71.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.79 0.836 . . . . 0.0 111.756 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -87.84 -32.18 19.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.856 0.862 . . . . 0.0 111.953 172.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.73 82.97 36.96 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.597 1.159 . . . . 0.0 111.289 -174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.17 -10.96 19.46 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.177 2.584 . . . . 0.0 113.178 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -102.1 7.0 41.21 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.667 1.587 . . . . 0.0 113.455 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -55.87 -36.73 67.92 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 112.746 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.56 -20.01 61.39 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.163 1.785 . . . . 0.0 113.419 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -88.41 -17.83 29.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.815 1.246 . . . . 0.0 112.846 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -96.59 -35.18 11.16 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 112.358 170.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.02 114.41 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.434 1.494 . . . . 0.0 109.759 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -86.66 -19.32 29.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -174.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -126.05 67.97 63.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.284 1.434 . . . . 0.0 110.067 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.25 136.0 25.86 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.972 3.114 . . . . 0.0 109.903 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.9 ttt -162.26 149.92 14.2 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -148.07 173.63 12.74 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.823 2.449 . . . . 0.0 110.103 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.99 -32.36 63.87 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.18 -37.59 85.83 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 112.01 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -67.2 -41.16 86.29 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 111.298 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 86.5 mtp -63.11 -46.43 87.36 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.672 0.669 . . . . 0.0 111.338 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.05 -47.32 78.11 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.66 -0.65 . . . . 0.0 112.363 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.38 -45.42 94.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.772 0.829 . . . . 0.0 111.72 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.26 -33.05 74.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.755 0.822 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.75 -43.59 46.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.762 -1.211 . . . . 0.0 111.423 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.43 -12.57 61.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.75 5.03 41.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.314 1.845 . . . . 0.0 113.243 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 63.32 25.88 14.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.007 1.723 . . . . 0.0 113.975 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -69.34 -22.33 63.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.983 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.13 105.17 17.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.862 1.265 . . . . 0.0 111.857 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.64 -4.46 25.13 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.254 1.422 . . . . 0.0 113.087 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -153.81 151.7 29.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.651 1.58 . . . . 0.0 110.265 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -68.98 -21.1 64.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.431 0.692 . . . . 0.0 112.26 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.97 -48.96 78.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.847 0.859 . . . . 0.0 112.117 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.59 -32.95 68.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.756 0.707 . . . . 0.0 112.524 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.6 -37.62 82.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.783 0.833 . . . . 0.0 111.762 175.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.27 -43.45 61.0 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.609 1.163 . . . . 0.0 111.479 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.53 -32.27 73.51 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.25 -0.906 . . . . 0.0 113.192 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.42 -28.87 63.24 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.632 -0.667 . . . . 0.0 112.626 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.3 -43.9 76.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.239 -0.913 . . . . 0.0 110.321 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -58.74 -36.19 73.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.92 0.488 . . . . 0.0 111.89 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.33 -44.89 96.43 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.148 0.885 . . . . 0.0 111.697 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.69 -45.44 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.797 0.839 . . . . 0.0 111.184 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.88 -55.0 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.818 0.847 . . . . 0.0 110.578 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -63.39 -35.84 81.73 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.37 -21.67 66.42 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.542 1.064 . . . . 0.0 113.173 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.0 t -77.51 -54.48 6.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.215 0.606 . . . . 0.0 110.237 169.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.87 -26.91 69.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.147 1.379 . . . . 0.0 113.386 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.97 -23.27 60.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.96 1.704 . . . . 0.0 114.194 173.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -147.13 81.09 1.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.979 1.712 . . . . 0.0 111.738 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -168.92 -179.6 3.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.102 2.161 . . . . 0.0 111.938 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.15 148.34 25.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.164 1.385 . . . . 0.0 110.723 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.46 8.16 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -169.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -144.37 11.25 1.49 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 -169.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.5 p -93.37 164.6 13.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.034 0.934 . . . . 0.0 113.419 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.05 -41.67 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.467 1.107 . . . . 0.0 110.629 169.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.92 -38.48 76.24 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.98 1.312 . . . . 0.0 112.319 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.95 -54.37 45.84 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.839 0.856 . . . . 0.0 110.575 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -60.63 -34.04 73.67 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.48 87.51 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.42 1.009 . . . . 0.0 112.305 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.34 80.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.048 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.44 -44.99 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.216 0.606 . . . . 0.0 110.671 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -69.36 -35.61 76.02 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.73 -44.69 96.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.461 1.028 . . . . 0.0 111.889 170.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.12 0.968 . . . . 0.0 113.18 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.0 -65.71 0.98 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.932 1.293 . . . . 0.0 111.449 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.11 -49.08 73.61 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.678 0.791 . . . . 0.0 112.591 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -84.48 -10.08 80.38 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-O 119.614 -0.548 . . . . 0.0 113.64 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.5 92.11 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 118.272 1.036 . . . . 0.0 110.894 170.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.29 83.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.603 0.761 . . . . 0.0 112.006 169.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.456 HG23 ' HA2' ' B' ' 140' ' ' GLY . 51.7 t -63.02 -36.89 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.243 1.017 . . . . 0.0 111.977 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.13 -37.32 66.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.487 0.715 . . . . 0.0 111.571 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.69 -46.05 73.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.715 0.806 . . . . 0.0 112.652 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.12 -33.3 75.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.024 0.93 . . . . 0.0 112.281 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.7 -28.45 20.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.038 0.935 . . . . 0.0 112.667 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.32 -28.62 68.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.599 1.16 . . . . 0.0 112.415 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.82 -30.18 68.75 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.443 1.097 . . . . 0.0 113.096 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -72.6 -24.53 61.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.175 0.99 . . . . 0.0 112.501 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.01 -41.88 16.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.256 1.022 . . . . 0.0 112.049 170.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.86 -34.6 78.51 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.123 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.95 -38.04 78.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.377 1.089 . . . . 0.0 113.124 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.35 -17.35 59.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.344 1.058 . . . . 0.0 112.656 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.19 -28.5 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.591 1.156 . . . . 0.0 111.03 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.19 -56.3 17.84 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.41 -0.806 . . . . 0.0 109.762 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.26 -40.41 96.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.011 0.524 . . . . 0.0 112.371 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -64.85 -33.7 76.64 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -76.07 -34.98 59.58 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -64.17 -45.4 88.58 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.458 1.103 . . . . 0.0 111.286 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.65 -34.83 71.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.79 0.836 . . . . 0.0 113.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -71.91 -23.4 61.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.522 0.729 . . . . 0.0 112.557 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -83.24 -25.37 31.74 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.225 -0.922 . . . . 0.0 112.462 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.29 -27.88 68.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.738 1.154 . . . . 0.0 111.383 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.33 -21.92 61.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.588 0.755 . . . . 0.0 112.9 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -66.61 -20.73 66.07 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.798 0.726 . . . . 0.0 111.893 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -97.57 2.45 50.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.47 1.508 . . . . 0.0 114.035 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.91 85.15 2.22 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.09 1.756 . . . . 0.0 110.332 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.0 t -88.65 -3.84 58.69 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.986 1.314 . . . . 0.0 114.102 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.51 -12.91 66.28 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.147 1.356 . . . . 0.0 113.155 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 62.95 20.76 12.47 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.902 2.081 . . . . 0.0 113.779 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.87 -35.12 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.869 1.268 . . . . 0.0 111.893 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -108.41 -19.55 13.42 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.718 1.207 . . . . 0.0 112.005 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 38.4 m -54.57 -27.52 39.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.587 1.555 . . . . 0.0 114.282 172.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.78 153.64 81.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 125.86 1.664 . . . . 0.0 112.376 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.46 149.34 68.66 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 124.851 3.701 . . . . 0.0 113.164 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.93 126.16 91.3 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.132 0.973 . . . . 0.0 109.704 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.11 114.94 4.13 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.209 2.606 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.96 -23.23 64.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.008 0.523 . . . . 0.0 112.397 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.0 m -60.74 -18.31 53.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.127 1.371 . . . . 0.0 113.954 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.82 7.04 9.88 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.09 1.356 . . . . 0.0 113.742 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.7 t -148.65 80.61 8.18 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.75 -9.75 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.211 2.608 . . . . 0.0 113.28 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -104.44 6.2 34.75 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.323 1.449 . . . . 0.0 113.601 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -56.14 -40.89 74.51 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.4 mt -75.79 -19.82 58.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.156 1.383 . . . . 0.0 113.219 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.23 -22.13 36.03 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.561 1.144 . . . . 0.0 112.702 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -103.83 -24.14 13.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.2 122.48 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.707 1.203 . . . . 0.0 111.035 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.8 -33.55 58.0 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -138.63 72.87 42.28 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.98 1.312 . . . . 0.0 111.894 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.56 125.03 9.76 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 -172.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 49.8 mmm -135.69 170.57 15.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.337 1.855 . . . . 0.0 111.706 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.35 169.37 22.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.218 2.207 . . . . 0.0 110.521 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -54.8 -38.51 67.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.434 0.693 . . . . 0.0 112.838 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -71.17 -30.59 66.61 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 45.1 m -67.08 -45.49 77.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.441 0.696 . . . . 0.0 110.706 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 18.2 ptm -69.77 -29.97 67.43 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -61.61 -47.91 83.3 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.199 -0.938 . . . . 0.0 111.926 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -62.24 -45.95 91.04 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.124 0.969 . . . . 0.0 111.547 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.58 -28.79 68.79 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.1 -40.97 26.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.942 0.897 . . . . 0.0 111.755 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.63 -16.45 62.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.108 0.963 . . . . 0.0 113.053 172.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.13 -3.28 21.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.009 1.724 . . . . 0.0 113.931 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 69.15 50.9 0.54 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.265 2.226 . . . . 0.0 113.205 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -16.37 28.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -82.86 -71.38 0.5 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.89 1.223 . . . . 0.0 113.417 -172.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 66.26 -2.05 1.07 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.165 2.586 . . . . 0.0 115.235 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -147.07 138.45 24.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.135 2.174 . . . . 0.0 108.655 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.6 -28.0 67.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.42 -44.83 89.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.635 1.174 . . . . 0.0 112.379 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.16 -37.24 75.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.589 0.756 . . . . 0.0 112.051 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.15 -37.99 84.74 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.214 1.005 . . . . 0.0 112.11 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -77.03 -33.6 57.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.311 1.444 . . . . 0.0 112.209 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -68.32 -35.32 77.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 113.231 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.44 -40.42 93.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.408 0.683 . . . . 0.0 111.55 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.58 -44.27 94.53 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.472 -0.767 . . . . 0.0 111.64 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -57.49 -37.04 72.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.033 0.533 . . . . 0.0 112.115 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.269 1.428 . . . . 0.0 111.573 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.33 -40.42 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.217 1.007 . . . . 0.0 111.215 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.2 -58.81 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.588 0.755 . . . . 0.0 111.039 170.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 83.9 p -66.67 -32.05 73.12 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.67 -27.52 68.98 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.088 -1.008 . . . . 0.0 113.071 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -72.23 -53.14 13.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.658 0.663 . . . . 0.0 110.106 171.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.28 -21.82 62.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.774 1.63 . . . . 0.0 113.503 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -78.59 -50.12 12.07 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.223 1.409 . . . . 0.0 113.806 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -110.88 81.06 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.473 1.109 . . . . 0.0 111.587 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.75 -166.27 0.3 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.625 2.37 . . . . 0.0 110.701 -174.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.09 33.7 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.049 0.928 . . . . 0.0 111.393 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -76.76 12.98 1.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.192 2.197 . . . . 0.0 114.263 -169.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -138.11 16.64 2.81 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.241 1.816 . . . . 0.0 113.334 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.0 p -110.66 162.04 15.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.454 1.102 . . . . 0.0 112.996 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.2 tt -61.79 -42.42 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.426 1.091 . . . . 0.0 111.106 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -69.32 -37.33 77.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.621 1.169 . . . . 0.0 112.33 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.03 -54.75 43.21 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.566 1.147 . . . . 0.0 110.794 172.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.54 -31.65 72.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.759 0.824 . . . . 0.0 112.955 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.14 79.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.28 0.945 . . . . 0.0 112.765 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.79 71.32 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 112.306 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.45 -41.79 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.346 0.658 . . . . 0.0 110.571 170.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -64.23 -41.85 96.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.833 0.853 . . . . 0.0 112.215 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.19 -42.72 99.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.953 0.901 . . . . 0.0 112.63 173.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -57.59 -30.77 65.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.09 0.956 . . . . 0.0 113.021 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -86.81 -63.69 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.957 1.303 . . . . 0.0 111.429 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.66 -48.53 63.73 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -170.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -77.94 -12.25 84.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 121.732 -0.605 . . . . 0.0 112.665 175.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.25 -37.03 93.53 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 117.984 0.892 . . . . 0.0 112.035 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.436 HG23 ' HA2' ' B' ' 140' ' ' GLY . 60.6 t -61.12 -38.23 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.761 0.824 . . . . 0.0 111.468 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.07 -33.56 65.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.708 0.803 . . . . 0.0 111.653 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -69.0 -50.76 46.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.275 1.03 . . . . 0.0 113.249 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.04 -24.74 68.05 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.355 1.062 . . . . 0.0 112.869 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.02 -28.44 13.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.776 0.83 . . . . 0.0 112.764 -173.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -62.31 -35.94 80.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.506 1.122 . . . . 0.0 112.551 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -20.85 63.97 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.53 -21.78 57.66 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.701 1.2 . . . . 0.0 112.499 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -91.03 -41.58 11.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.918 1.287 . . . . 0.0 112.266 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -31.13 72.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.159 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -61.48 -42.88 99.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.582 1.153 . . . . 0.0 112.47 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.95 -31.56 72.22 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.146 0.978 . . . . 0.0 111.32 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.32 -32.58 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.962 0.905 . . . . 0.0 112.194 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.6 mt -54.94 -43.9 73.81 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.369 0.986 . . . . 0.0 110.213 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.24 -36.22 79.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.5 0.72 . . . . 0.0 111.478 -173.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -58.69 -51.24 70.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.466 0.706 . . . . 0.0 110.977 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.63 -30.77 69.56 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.498 0.719 . . . . 0.0 112.936 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -74.46 -48.05 29.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.719 1.208 . . . . 0.0 111.222 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.4 -39.69 84.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.943 0.792 . . . . 0.0 112.418 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.59 -25.77 65.05 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.24 -32.29 49.63 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 111.808 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.88 -31.73 72.04 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.679 1.127 . . . . 0.0 112.237 170.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.23 -23.23 61.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.49 -15.53 59.87 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.92 0.782 . . . . 0.0 112.63 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -87.54 -1.23 57.8 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.693 1.197 . . . . 0.0 113.805 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -119.14 80.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 109.894 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -83.38 -6.1 59.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.786 1.234 . . . . 0.0 113.93 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.95 -11.2 61.88 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.559 1.552 . . . . 0.0 113.807 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.09 31.36 19.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.201 1.8 . . . . 0.0 113.214 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.23 -29.96 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 111.597 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -115.42 -14.84 11.57 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.772 . . . . 0.0 112.373 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.9 m -57.74 -25.77 60.89 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.206 1.402 . . . . 0.0 113.589 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -131.91 152.58 80.53 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.85 1.66 . . . . 0.0 112.24 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.32 153.67 61.45 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 124.857 3.705 . . . . 0.0 112.799 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.38 125.12 89.82 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.025 0.93 . . . . 0.0 109.926 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.5 116.48 4.73 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.364 2.71 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.26 -21.0 61.44 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -61.0 -23.73 65.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.365 1.066 . . . . 0.0 113.205 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -115.98 6.06 14.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.201 1.401 . . . . 0.0 114.038 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.9 t -147.6 82.03 8.26 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.82 1.648 . . . . 0.0 108.947 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.98 -7.03 15.32 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.187 2.592 . . . . 0.0 113.049 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -108.08 12.39 26.87 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.87 1.668 . . . . 0.0 113.059 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -55.41 -41.67 73.06 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.704 -1.247 . . . . 0.0 112.468 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.7 mt -78.43 -19.15 53.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.219 1.408 . . . . 0.0 113.468 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.96 -24.26 58.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.039 0.935 . . . . 0.0 112.351 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -99.59 -30.97 11.83 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.255 1.022 . . . . 0.0 113.417 173.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.2 mm -118.55 111.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 110.892 -174.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -76.11 -29.51 57.9 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.544 1.138 . . . . 0.0 113.598 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -136.14 86.45 25.49 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 126.011 1.725 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.31 145.14 16.76 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.371 2.714 . . . . 0.0 112.11 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 44.9 ttm -158.12 153.17 25.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -147.87 169.77 19.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 109.722 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -58.51 -29.7 66.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.85 -39.59 93.8 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.492 0.717 . . . . 0.0 112.326 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.2 m -63.76 -43.51 96.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.867 . . . . 0.0 110.885 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.9 mtp -62.89 -45.05 94.37 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.796 0.271 . . . . 0.0 111.564 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -58.16 -42.2 85.47 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -64.6 -46.24 83.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.825 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -62.74 -33.73 75.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -75.23 -42.92 54.29 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.264 1.026 . . . . 0.0 111.582 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.87 -15.99 62.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.089 0.955 . . . . 0.0 113.22 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.25 6.76 43.05 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.379 1.872 . . . . 0.0 113.363 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 63.08 30.05 16.21 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 113.954 172.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -79.06 -14.57 59.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.942 1.297 . . . . 0.0 113.935 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -97.07 106.91 19.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.926 1.29 . . . . 0.0 111.245 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -7.66 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.853 1.261 . . . . 0.0 113.128 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -145.17 146.2 31.67 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.556 1.942 . . . . 0.0 109.779 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.96 -27.16 67.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.908 0.483 . . . . 0.0 112.161 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -57.3 -44.66 84.31 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.097 1.359 . . . . 0.0 112.832 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.5 -34.59 65.36 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.617 0.767 . . . . 0.0 112.336 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -67.97 -37.34 81.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.299 1.04 . . . . 0.0 111.65 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.44 -40.11 67.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.997 1.319 . . . . 0.0 111.924 173.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.18 -31.68 71.39 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.027 -1.046 . . . . 0.0 113.108 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.44 -29.86 65.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.558 -0.714 . . . . 0.0 112.399 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.09 -43.52 78.33 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.917 -1.114 . . . . 0.0 111.013 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -57.84 -31.33 66.54 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.942 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.9 -42.68 85.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.211 0.914 . . . . 0.0 112.155 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.7 -44.91 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.222 1.009 . . . . 0.0 111.093 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.94 -54.02 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.236 0.614 . . . . 0.0 110.483 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -61.5 -36.83 81.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 113.05 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -40.13 52.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.965 1.306 . . . . 0.0 112.904 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.2 t -78.32 -34.4 48.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.892 -0.505 . . . . 0.0 111.908 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.39 -21.88 52.51 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.087 0.955 . . . . 0.0 112.187 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -80.5 -24.58 39.3 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.632 1.573 . . . . 0.0 114.333 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -144.27 94.86 2.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.52 172.0 1.19 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.609 2.764 . . . . 0.0 110.323 172.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.51 165.68 17.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.047 0.939 . . . . 0.0 111.4 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -80.74 6.24 13.46 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.05 17.03 1.22 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.777 1.231 . . . . 0.0 113.973 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.3 p -95.21 156.95 16.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.083 1.353 . . . . 0.0 112.941 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.86 -41.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.746 1.218 . . . . 0.0 112.567 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.85 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.816 0.847 . . . . 0.0 112.517 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.33 -43.56 92.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.52 0.728 . . . . 0.0 111.053 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.21 -30.1 60.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.299 1.039 . . . . 0.0 113.063 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.32 74.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.346 0.975 . . . . 0.0 112.389 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.6 81.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.621 0.768 . . . . 0.0 112.584 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.07 -39.97 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.579 0.752 . . . . 0.0 110.492 172.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.56 -33.02 74.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.386 0.674 . . . . 0.0 112.497 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.66 -43.58 84.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.861 0.864 . . . . 0.0 111.568 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -57.71 -32.6 67.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.997 0.919 . . . . 0.0 112.742 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.52 -67.49 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.656 1.183 . . . . 0.0 111.567 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.88 -45.81 73.45 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.525 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -79.45 -13.88 82.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 121.79 -0.569 . . . . 0.0 113.421 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.79 87.79 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.088 0.944 . . . . 0.0 111.329 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.793 0.797 . . . . 0.0 111.765 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.525 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.4 t -60.07 -39.87 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.853 0.861 . . . . 0.0 110.914 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.03 -36.81 78.15 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.909 -0.494 . . . . 0.0 111.465 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -72.9 -41.28 64.76 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -65.99 -25.46 67.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.078 0.951 . . . . 0.0 112.506 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.28 13.69 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.612 0.765 . . . . 0.0 112.499 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.49 -41.94 95.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.766 1.627 . . . . 0.0 112.516 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -65.59 -17.83 64.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.05 -17.1 61.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.249 1.02 . . . . 0.0 112.825 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.54 -39.41 12.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.754 1.222 . . . . 0.0 112.578 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.59 -31.72 71.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.294 0 CA-C-O 119.298 -0.724 . . . . 0.0 114.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.82 1.31 . . . . 0.0 113.106 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.65 -16.03 60.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.195 0.998 . . . . 0.0 112.861 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.2 mt -76.24 -29.86 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.68 1.192 . . . . 0.0 110.841 170.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.17 -44.54 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.472 -0.767 . . . . 0.0 110.473 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.54 -44.75 77.54 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.141 -0.457 . . . . 0.0 111.471 -173.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -64.34 -34.64 78.61 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.443 0.565 . . . . 0.0 112.306 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -77.44 -20.25 54.81 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.8 m -87.62 -44.17 11.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.461 1.104 . . . . 0.0 111.546 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.07 -39.85 75.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.378 1.071 . . . . 0.0 112.716 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.44 -28.0 69.37 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -79.51 -21.77 44.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.842 0.857 . . . . 0.0 112.707 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.38 -27.48 60.67 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.881 1.219 . . . . 0.0 111.615 169.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.8 -21.03 63.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.563 0.619 . . . . 0.0 112.412 175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.49 -7.36 53.93 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.371 1.068 . . . . 0.0 113.014 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -102.34 -2.57 28.68 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.449 1.5 . . . . 0.0 113.095 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.23 85.26 2.15 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.45 1.9 . . . . 0.0 109.392 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.9 t -85.67 -4.81 59.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.819 1.248 . . . . 0.0 113.922 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.69 -11.73 57.67 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.413 1.482 . . . . 0.0 113.672 170.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 60.79 26.42 16.24 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.365 1.866 . . . . 0.0 113.151 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.44 -32.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.685 1.594 . . . . 0.0 112.054 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -111.05 -15.65 13.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.714 1.605 . . . . 0.0 112.612 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -56.72 -22.38 34.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.359 1.464 . . . . 0.0 113.843 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.95 156.82 79.63 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.387 1.875 . . . . 0.0 111.736 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.65 150.93 79.73 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.583 3.522 . . . . 0.0 111.859 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.96 126.72 90.64 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.698 0.799 . . . . 0.0 109.933 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.67 117.29 5.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.442 2.761 . . . . 0.0 110.851 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.72 -23.72 62.51 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.06 -18.02 59.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.944 1.298 . . . . 0.0 113.923 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.37 6.32 10.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.214 1.406 . . . . 0.0 113.815 170.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -150.72 78.24 7.58 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.245 1.818 . . . . 0.0 109.073 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.02 -11.37 16.46 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.049 2.5 . . . . 0.0 113.012 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.63 12.55 36.21 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.784 1.633 . . . . 0.0 113.012 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -55.83 -41.22 73.94 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.802 -1.187 . . . . 0.0 112.39 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.47 -19.85 55.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.026 1.331 . . . . 0.0 113.403 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.67 -27.35 50.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.106 0.963 . . . . 0.0 112.304 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -96.27 -28.89 14.3 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -118.8 112.06 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.116 1.367 . . . . 0.0 110.527 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -80.37 -26.97 38.32 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -130.41 68.39 81.26 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.81 1.644 . . . . 0.0 111.186 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.88 138.85 32.22 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.685 2.924 . . . . 0.0 111.597 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpt -153.9 162.41 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.016 1.326 . . . . 0.0 113.075 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.89 168.22 17.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 111.76 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.32 -29.8 71.05 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -66.96 -41.82 86.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.877 0.762 . . . . 0.0 110.894 173.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -68.98 -36.81 78.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.878 0.871 . . . . 0.0 111.263 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.8 mtp -56.27 -52.3 65.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.925 0.784 . . . . 0.0 110.859 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.68 -41.39 86.08 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -61.14 -46.31 91.08 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.218 1.007 . . . . 0.0 111.904 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.95 -32.74 74.41 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.833 0.853 . . . . 0.0 112.062 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -73.31 -41.74 63.18 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.461 -1.399 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.08 -12.65 60.52 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.108 0.963 . . . . 0.0 113.504 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.22 8.24 33.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.86 1.664 . . . . 0.0 112.944 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 63.88 23.54 13.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.286 1.834 . . . . 0.0 114.079 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.18 -27.77 69.29 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.49 1.116 . . . . 0.0 112.71 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -85.99 101.72 13.15 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.971 1.308 . . . . 0.0 111.525 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 61.6 mt -96.4 -20.45 18.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.768 1.227 . . . . 0.0 113.633 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -141.22 149.92 42.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.337 1.855 . . . . 0.0 110.452 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -66.64 -26.69 67.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.315 0.646 . . . . 0.0 112.715 -172.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.79 -40.83 85.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.741 1.216 . . . . 0.0 112.722 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -77.34 -33.64 55.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.609 0.763 . . . . 0.0 112.308 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.11 -38.69 88.81 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.03 0.932 . . . . 0.0 111.652 172.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.56 -43.5 69.36 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.909 1.284 . . . . 0.0 111.586 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.09 -34.88 78.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.234 -0.916 . . . . 0.0 113.054 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.17 -27.15 62.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -70.03 -43.29 71.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.588 -0.695 . . . . 0.0 110.405 169.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -59.49 -31.29 69.22 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.126 0.57 . . . . 0.0 112.144 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.7 -42.46 99.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.864 0.866 . . . . 0.0 111.934 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.14 -47.83 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.002 0.921 . . . . 0.0 110.854 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 81.2 t -60.97 -50.45 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.058 . . . . 0.0 110.413 177.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -58.75 -41.44 86.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.382 1.073 . . . . 0.0 112.42 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.06 -21.69 64.98 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.089 -1.007 . . . . 0.0 113.583 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.5 t -74.17 -55.42 6.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.935 0.789 . . . . 0.0 109.72 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.79 -23.08 67.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -81.25 -14.33 57.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.737 2.015 . . . . 0.0 113.933 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -150.7 81.09 1.34 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 112.495 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -170.83 178.63 3.43 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.342 2.257 . . . . 0.0 111.408 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.73 157.22 16.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.787 1.235 . . . . 0.0 110.779 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -66.68 -4.71 9.48 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 -169.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -143.59 16.94 1.83 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -169.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 75.3 p -83.5 163.25 20.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 112.46 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 tt -55.3 -40.84 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.743 0.817 . . . . 0.0 110.995 169.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -68.46 -41.34 80.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.834 1.254 . . . . 0.0 112.168 -175.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -58.68 -52.29 66.32 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.99 0.516 . . . . 0.0 110.422 171.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -67.66 -29.68 69.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.612 0.765 . . . . 0.0 112.733 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.8 78.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.412 1.085 . . . . 0.0 112.788 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.31 75.64 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.409 -0.807 . . . . 0.0 112.062 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.37 -39.17 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.883 -0.511 . . . . 0.0 111.089 170.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -58.54 -47.51 83.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.733 0.813 . . . . 0.0 111.596 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.02 -45.26 95.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.012 0.925 . . . . 0.0 112.367 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -57.36 -32.72 67.05 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.409 1.084 . . . . 0.0 113.22 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -91.4 -64.19 1.16 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.956 1.303 . . . . 0.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -70.27 -42.79 71.64 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -169.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.445 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.33 -11.59 81.92 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 118.756 0.707 . . . . 0.0 113.232 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.89 88.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.216 1.008 . . . . 0.0 110.973 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.92 87.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.645 0.778 . . . . 0.0 112.081 169.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.445 HG23 ' HA2' ' B' ' 140' ' ' GLY . 52.4 t -62.7 -35.34 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.144 0.978 . . . . 0.0 111.761 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.65 -35.94 60.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.269 0.627 . . . . 0.0 111.301 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -67.39 -46.17 74.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.847 0.859 . . . . 0.0 112.758 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -65.02 -34.49 78.56 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.01 0.924 . . . . 0.0 112.022 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.01 -26.89 21.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.644 0.777 . . . . 0.0 112.489 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -56.61 -33.82 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.791 1.236 . . . . 0.0 111.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.17 -24.89 68.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.77 -23.8 60.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.087 0.858 . . . . 0.0 112.444 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.36 13.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.472 1.109 . . . . 0.0 111.984 171.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.46 -34.01 77.22 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.456 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.8 -44.11 90.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.952 1.301 . . . . 0.0 112.514 -174.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.17 -23.03 65.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.223 1.009 . . . . 0.0 112.822 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.22 -31.54 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.445 1.098 . . . . 0.0 110.746 174.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.02 -48.18 77.36 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.653 -0.654 . . . . 0.0 110.166 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.59 -43.68 84.24 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.509 -171.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -61.89 -36.38 81.12 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.482 0.583 . . . . 0.0 112.033 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.47 -40.29 67.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.795 0.838 . . . . 0.0 112.854 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -69.39 -43.44 73.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.645 1.578 . . . . 0.0 111.523 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -57.97 -37.84 74.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.42 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.36 -22.44 62.77 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -81.77 -27.58 33.68 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.343 0.974 . . . . 0.0 111.896 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.59 -30.53 70.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.703 1.138 . . . . 0.0 111.285 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.7 -22.1 61.69 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.26 -13.69 61.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.081 0.855 . . . . 0.0 112.623 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -94.0 0.19 55.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.123 1.369 . . . . 0.0 113.13 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.09 78.05 1.68 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.909 2.083 . . . . 0.0 109.811 173.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 79.5 p -82.21 -7.96 59.63 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.187 1.395 . . . . 0.0 114.28 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.45 -10.55 67.8 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.944 1.735 . . . . 0.0 113.746 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 59.64 27.52 16.76 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.494 1.917 . . . . 0.0 113.191 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.63 -35.02 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.512 1.525 . . . . 0.0 111.725 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -112.19 -16.82 12.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.625 1.57 . . . . 0.0 112.231 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -59.02 -20.73 55.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.093 1.357 . . . . 0.0 114.104 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -129.72 154.49 80.98 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 125.906 1.682 . . . . 0.0 111.456 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -65.91 143.58 73.51 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 124.384 3.389 . . . . 0.0 112.018 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.88 124.5 64.91 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.485 0.714 . . . . 0.0 110.54 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.84 113.22 3.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.354 2.703 . . . . 0.0 110.911 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.77 -23.31 63.35 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.063 0.545 . . . . 0.0 112.386 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -61.58 -18.49 59.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.916 1.287 . . . . 0.0 113.97 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -121.37 5.56 10.19 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.271 1.428 . . . . 0.0 113.695 170.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.96 78.7 11.4 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.493 1.517 . . . . 0.0 109.712 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.9 -12.16 17.94 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.118 2.546 . . . . 0.0 113.494 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -104.16 6.2 35.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.478 1.511 . . . . 0.0 113.314 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -55.84 -44.33 77.89 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.964 -1.085 . . . . 0.0 112.147 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.72 -18.07 59.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.337 1.455 . . . . 0.0 113.19 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.31 -20.46 25.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.893 1.277 . . . . 0.0 113.069 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -105.22 -25.56 12.4 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.369 1.068 . . . . 0.0 113.333 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.59 124.05 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.007 1.323 . . . . 0.0 110.365 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.17 -30.12 48.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.477 1.111 . . . . 0.0 113.387 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -137.21 69.52 55.71 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.929 1.692 . . . . 0.0 111.4 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.0 130.64 16.94 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.635 2.89 . . . . 0.0 111.415 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 16.7 ttt -162.6 150.93 14.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.997 1.319 . . . . 0.0 112.618 -170.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -147.3 174.96 11.15 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.748 2.419 . . . . 0.0 110.859 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -59.96 -23.64 63.74 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.99 -38.93 89.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.18 0.9 . . . . 0.0 111.378 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 42.0 m -67.76 -35.98 79.68 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.979 1.312 . . . . 0.0 111.666 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 55.5 mmm -56.95 -53.83 53.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.397 0.679 . . . . 0.0 110.628 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.29 -42.18 86.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -65.51 -45.18 84.51 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.762 0.825 . . . . 0.0 112.286 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -58.45 -40.63 83.16 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.56 0.744 . . . . 0.0 111.824 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.06 -41.74 70.34 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.26 -0.9 . . . . 0.0 112.314 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.4 -12.15 59.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 0.0 113.349 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.7 7.69 32.68 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.095 1.758 . . . . 0.0 113.021 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 65.08 22.83 12.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.756 2.022 . . . . 0.0 114.2 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -68.83 -20.86 64.31 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.223 1.009 . . . . 0.0 113.279 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -87.01 104.02 15.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.877 1.271 . . . . 0.0 111.47 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 59.8 mt -99.24 -19.52 17.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.223 1.409 . . . . 0.0 113.352 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -140.48 150.04 43.28 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.592 1.957 . . . . 0.0 110.313 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -66.25 -27.7 68.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.109 0.564 . . . . 0.0 112.452 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -44.35 76.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.993 1.317 . . . . 0.0 112.508 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -73.18 -33.66 65.55 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 0.0 112.615 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -67.18 -37.33 83.53 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.708 0.803 . . . . 0.0 111.513 174.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.65 -44.17 64.8 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.511 1.124 . . . . 0.0 111.443 173.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.89 -1.131 . . . . 0.0 113.146 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -74.47 -23.64 58.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.479 -0.763 . . . . 0.0 112.391 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -69.62 -44.01 71.53 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.974 . . . . 0.0 109.421 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -58.57 -32.83 69.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.549 0.74 . . . . 0.0 112.401 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.91 -43.67 98.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.999 0.92 . . . . 0.0 111.982 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.727 0.811 . . . . 0.0 110.841 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.68 -55.55 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.823 0.849 . . . . 0.0 110.696 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.8 p -67.33 -27.04 66.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.39 -23.17 66.28 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.103 -0.998 . . . . 0.0 113.193 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.75 -53.21 8.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.774 0.715 . . . . 0.0 110.282 169.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 76.9 mt -56.46 -26.66 54.67 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.762 1.625 . . . . 0.0 113.302 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -87.24 -13.34 44.07 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.87 1.668 . . . . 0.0 114.301 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -138.29 70.03 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.685 1.594 . . . . 0.0 112.273 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.76 176.24 9.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.779 1.631 . . . . 0.0 112.247 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -114.62 162.69 16.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.095 1.358 . . . . 0.0 111.277 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.93 -0.19 2.17 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -137.13 6.42 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 51.9 p -84.36 158.63 21.08 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.085 0.857 . . . . 0.0 112.252 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.7 tt -58.41 -41.93 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 111.419 170.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.27 -38.26 81.54 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.704 1.202 . . . . 0.0 112.335 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.85 -51.8 68.1 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.176 0.99 . . . . 0.0 111.262 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -71.55 -28.7 64.03 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.588 0.755 . . . . 0.0 112.804 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.56 91.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.411 1.005 . . . . 0.0 112.344 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.75 80.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.4 0.68 . . . . 0.0 112.363 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.9 -42.27 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.192 0.597 . . . . 0.0 110.741 171.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.34 -33.31 74.97 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.558 -0.714 . . . . 0.0 112.833 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.54 -46.88 83.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.614 0.766 . . . . 0.0 111.282 169.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -59.28 -31.28 68.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.139 0.975 . . . . 0.0 113.129 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -81.13 -67.7 0.75 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.788 1.235 . . . . 0.0 111.757 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.32 -42.65 71.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -78.75 -10.29 86.32 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.607 0.64 . . . . 0.0 113.239 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.8 -36.39 92.16 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 118.139 0.97 . . . . 0.0 111.234 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.19 87.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.703 0.752 . . . . 0.0 111.695 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.446 HG23 ' HA2' ' B' ' 140' ' ' GLY . 40.6 t -61.75 -36.55 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.684 0.793 . . . . 0.0 111.632 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.38 -40.26 70.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.937 0.895 . . . . 0.0 111.551 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -67.61 -47.42 69.71 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.85 -35.33 80.28 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.015 0.926 . . . . 0.0 111.795 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.31 -25.84 23.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.867 0.867 . . . . 0.0 112.271 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -62.56 -32.3 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.92 1.288 . . . . 0.0 112.519 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -28.72 69.51 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.246 -0.909 . . . . 0.0 113.167 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -72.07 -21.1 61.56 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.54 1.136 . . . . 0.0 112.726 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.99 -43.22 11.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.21 1.004 . . . . 0.0 111.993 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.03 -34.08 75.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.857 0.863 . . . . 0.0 113.316 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -66.69 -35.51 80.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.374 1.47 . . . . 0.0 112.22 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.91 -31.37 67.97 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.869 0.759 . . . . 0.0 111.3 -177.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.43 -35.82 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.601 1.161 . . . . 0.0 111.541 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.06 -39.33 74.69 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.931 0.892 . . . . 0.0 111.355 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.14 -35.18 71.61 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.963 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -60.0 -51.84 67.94 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.56 0.695 . . . . 0.0 110.258 170.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -62.41 -31.26 71.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.057 1.343 . . . . 0.0 112.749 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -78.06 -51.44 10.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.987 1.315 . . . . 0.0 110.985 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.39 -38.26 76.97 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.061 0.944 . . . . 0.0 112.855 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.24 -24.01 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.431 0.692 . . . . 0.0 112.776 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -83.14 -24.89 32.36 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.118 -0.989 . . . . 0.0 113.33 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.63 -24.15 65.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.481 1.491 . . . . 0.0 112.209 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -70.0 -20.98 63.26 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.375 -0.828 . . . . 0.0 112.514 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.16 2.34 18.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.516 1.126 . . . . 0.0 112.472 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -115.97 -1.52 12.51 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.06 1.744 . . . . 0.0 113.376 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -122.45 88.6 2.96 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.841 1.657 . . . . 0.0 109.946 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.5 t -89.42 -3.24 58.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.942 1.297 . . . . 0.0 114.122 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.98 -12.43 55.34 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.36 1.457 . . . . 0.0 114.102 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 60.48 22.85 12.5 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.792 2.037 . . . . 0.0 113.698 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.87 -28.71 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.094 1.358 . . . . 0.0 111.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -116.7 -16.66 10.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.893 1.677 . . . . 0.0 111.946 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.6 m -57.07 -26.05 59.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.329 1.052 . . . . 0.0 113.833 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.75 149.01 70.76 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 125.828 1.651 . . . . 0.0 112.599 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.79 148.81 86.94 Favored 'Trans proline' 0 C--N 1.351 0.675 1 C-N-CA 125.481 4.121 . . . . 0.0 112.826 -172.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.91 127.55 91.84 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.389 1.076 . . . . 0.0 109.908 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.56 107.25 2.41 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.018 2.479 . . . . 0.0 110.427 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.8 -23.19 63.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -61.72 -18.81 61.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.11 1.364 . . . . 0.0 113.917 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.98 6.01 7.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.171 1.388 . . . . 0.0 113.587 171.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' B' ' 80' ' ' TYR . 21.9 t -145.5 68.15 13.21 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 126.591 1.957 . . . . 0.0 108.861 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.66 -17.31 18.25 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.971 2.447 . . . . 0.0 112.558 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -92.18 6.48 46.47 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.603 1.561 . . . . 0.0 113.429 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' B' ' 77' ' ' VAL . 76.7 t80 -54.41 -47.42 72.79 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.371 -0.831 . . . . 0.0 111.747 171.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.28 -19.67 59.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.785 1.234 . . . . 0.0 113.487 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.02 -18.04 58.42 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.917 0.887 . . . . 0.0 112.898 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -105.85 -27.74 11.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.314 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -115.49 107.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.772 1.629 . . . . 0.0 110.433 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -77.97 -27.16 49.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -126.33 77.23 72.62 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.657 1.583 . . . . 0.0 111.244 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.6 156.19 44.83 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.195 2.597 . . . . 0.0 111.562 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.05 166.1 32.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.929 1.692 . . . . 0.0 112.205 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.48 158.88 21.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.244 1.818 . . . . 0.0 111.036 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.07 -35.29 64.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.324 0.65 . . . . 0.0 112.598 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.96 -43.23 93.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.646 0.657 . . . . 0.0 111.657 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -62.7 -43.08 99.72 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.839 0.856 . . . . 0.0 111.104 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 87.9 mtp -62.63 -46.04 90.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.513 0.597 . . . . 0.0 111.716 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.83 -42.27 88.86 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.549 -0.72 . . . . 0.0 112.578 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -64.55 -45.37 87.38 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.427 1.091 . . . . 0.0 111.971 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -61.52 -39.85 92.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.461 0.705 . . . . 0.0 112.136 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.7 -41.99 78.38 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.144 -0.972 . . . . 0.0 111.797 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.78 -10.68 58.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.965 0.906 . . . . 0.0 113.255 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.92 4.93 43.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.998 1.719 . . . . 0.0 113.065 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 64.66 27.9 13.16 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.795 2.038 . . . . 0.0 113.613 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -74.98 -15.23 60.67 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.053 1.341 . . . . 0.0 113.401 -171.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -98.0 104.55 16.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.089 1.355 . . . . 0.0 111.13 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.55 -10.03 22.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.927 1.291 . . . . 0.0 113.103 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -145.79 149.39 34.27 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.691 1.996 . . . . 0.0 109.599 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -66.28 -27.52 68.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.02 0.528 . . . . 0.0 112.191 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.56 -43.74 89.47 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.885 1.274 . . . . 0.0 113.051 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -72.32 -35.68 68.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.074 0.852 . . . . 0.0 112.303 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.16 -39.42 86.47 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.188 0.995 . . . . 0.0 111.474 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.6 -41.16 79.98 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.039 1.335 . . . . 0.0 111.331 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.49 -34.02 75.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.146 0.979 . . . . 0.0 113.52 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.59 -30.83 69.66 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.53 -43.05 77.59 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.593 -0.692 . . . . 0.0 110.882 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.28 -35.45 73.77 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.852 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.86 -42.64 99.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.14 0.882 . . . . 0.0 111.337 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.19 -46.09 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.046 0.938 . . . . 0.0 111.301 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.46 -57.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.44 0.696 . . . . 0.0 110.29 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -64.1 -27.96 69.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.9 -22.78 64.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.418 1.008 . . . . 0.0 112.639 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.47 -45.84 24.37 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.437 -0.789 . . . . 0.0 110.04 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.93 -25.77 68.49 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.193 . . . . 0.0 113.024 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -84.68 -14.76 47.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.971 1.708 . . . . 0.0 113.948 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -147.85 86.51 1.58 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.979 1.312 . . . . 0.0 111.747 -174.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -165.0 -168.82 1.52 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.892 2.077 . . . . 0.0 110.945 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -133.89 156.44 48.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.293 1.437 . . . . 0.0 109.393 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.6 23.14 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.721 2.008 . . . . 0.0 116.362 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -156.36 11.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.51 1.924 . . . . 0.0 113.956 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 19.7 p -83.81 156.92 22.24 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.885 -1.135 . . . . 0.0 112.065 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 16.6 tt -68.78 -38.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 111.88 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -72.04 -33.44 67.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.238 1.015 . . . . 0.0 113.332 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -57.17 -48.35 78.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.955 0.902 . . . . 0.0 111.029 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.08 -26.31 56.37 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.7 74.25 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.338 -0.851 . . . . 0.0 112.66 171.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.29 71.54 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.434 -0.791 . . . . 0.0 112.739 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.21 -39.55 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.829 0.852 . . . . 0.0 110.767 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -57.87 -48.61 79.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.764 0.826 . . . . 0.0 111.837 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.91 -43.36 98.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.941 0.897 . . . . 0.0 112.496 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -56.67 -33.76 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.746 0.819 . . . . 0.0 113.028 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -88.03 -62.8 1.41 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.782 1.233 . . . . 0.0 111.127 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -67.63 -45.8 74.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.149 0.58 . . . . 0.0 112.286 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -84.54 -11.25 77.99 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.544 -0.587 . . . . 0.0 113.439 174.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.63 90.4 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.425 1.112 . . . . 0.0 110.748 169.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.34 92.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.635 0.774 . . . . 0.0 111.695 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.46 HG23 ' HA2' ' B' ' 140' ' ' GLY . 39.2 t -62.76 -38.62 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.202 1.001 . . . . 0.0 111.623 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.6 mt -69.74 -40.5 76.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.579 0.752 . . . . 0.0 111.403 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -65.11 -50.17 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -65.7 -32.52 74.12 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.244 1.018 . . . . 0.0 112.247 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.73 21.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.571 0.749 . . . . 0.0 111.56 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.72 -29.58 70.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.145 1.378 . . . . 0.0 111.974 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -54.61 -32.48 58.86 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.18 0.992 . . . . 0.0 113.402 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -72.52 -22.0 61.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.543 1.137 . . . . 0.0 112.809 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.41 11.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.908 1.283 . . . . 0.0 112.03 170.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.38 -31.12 72.2 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 CA-C-O 119.517 -0.602 . . . . 0.0 113.531 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.93 -38.08 81.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.658 1.183 . . . . 0.0 112.719 172.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.45 -17.46 60.14 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.079 0.951 . . . . 0.0 112.96 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 71.0 mt -76.81 -27.19 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.473 1.109 . . . . 0.0 111.154 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.18 -52.64 53.65 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.529 -0.732 . . . . 0.0 109.882 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.0 -41.45 99.58 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.186 0.594 . . . . 0.0 111.941 -170.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.181 0.446 . . . . 0.0 111.961 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -71.41 -29.32 64.78 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.6 m -72.76 -49.97 27.52 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.169 0.987 . . . . 0.0 110.676 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.15 -39.54 82.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.745 0.818 . . . . 0.0 112.397 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -63.04 -29.02 70.49 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.05 -34.24 43.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.687 1.131 . . . . 0.0 112.112 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.19 -31.93 72.51 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.827 1.194 . . . . 0.0 111.475 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.09 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -88.32 -13.59 40.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.195 0.998 . . . . 0.0 113.01 171.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -80.11 -20.44 45.03 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.714 -1.241 . . . . 0.0 113.171 173.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -100.3 84.29 2.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.433 1.493 . . . . 0.0 110.475 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -86.43 -5.46 59.15 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.788 1.235 . . . . 0.0 114.078 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.94 -12.15 62.48 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.298 1.428 . . . . 0.0 113.739 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 61.68 24.71 14.76 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.658 1.983 . . . . 0.0 113.175 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.64 -32.87 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.167 1.387 . . . . 0.0 112.133 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.29 -20.94 11.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.587 1.555 . . . . 0.0 112.271 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -57.62 -21.81 41.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.097 1.359 . . . . 0.0 114.134 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -132.47 155.47 81.22 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.203 1.801 . . . . 0.0 112.022 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.45 146.21 67.56 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.749 3.633 . . . . 0.0 112.231 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.64 125.9 89.15 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.089 0.956 . . . . 0.0 109.269 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 129.02 13.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.293 2.662 . . . . 0.0 111.893 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.39 -14.5 62.19 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.927 0.891 . . . . 0.0 113.028 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -69.97 -31.71 69.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.526 0.73 . . . . 0.0 112.004 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -88.56 -34.94 17.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.931 0.892 . . . . 0.0 112.031 172.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 t -128.89 79.36 74.69 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.75 1.22 . . . . 0.0 110.395 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.09 -16.22 15.9 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 123.262 2.641 . . . . 0.0 113.259 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -93.72 1.3 56.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.423 1.089 . . . . 0.0 113.115 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -55.68 -41.56 73.89 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.208 1.003 . . . . 0.0 112.512 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 mt -75.29 -19.61 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.194 1.397 . . . . 0.0 113.324 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.75 -19.54 28.96 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.743 1.217 . . . . 0.0 112.853 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -102.63 -28.6 12.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.637 1.175 . . . . 0.0 112.876 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.4 mm -114.57 120.81 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.626 1.57 . . . . 0.0 110.033 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -80.57 -26.39 37.97 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -130.92 63.59 70.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.886 1.674 . . . . 0.0 111.674 -177.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.94 129.19 16.99 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.615 2.876 . . . . 0.0 110.834 -172.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 17.5 ttt -161.87 154.98 20.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.745 1.218 . . . . 0.0 112.471 -169.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -151.43 179.15 8.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.826 2.05 . . . . 0.0 111.833 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.98 -32.57 66.21 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.31 -39.48 94.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.38 0.991 . . . . 0.0 111.471 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.1 m -66.19 -40.83 90.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.201 1.0 . . . . 0.0 111.325 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 80.4 mtp -60.5 -49.14 78.75 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.42 0.555 . . . . 0.0 111.519 171.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -59.01 -42.34 89.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.035 0.934 . . . . 0.0 112.498 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.97 -47.05 78.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.462 1.105 . . . . 0.0 111.906 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.71 -35.76 78.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.072 0.549 . . . . 0.0 112.244 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.94 -43.87 56.85 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.408 1.083 . . . . 0.0 111.913 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.63 -16.82 64.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.031 0.933 . . . . 0.0 113.389 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 -5.71 28.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.465 1.506 . . . . 0.0 113.369 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 74.34 37.1 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.315 2.646 . . . . 0.0 114.372 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -80.66 -15.47 56.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.659 1.183 . . . . 0.0 113.447 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -89.17 104.27 16.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.175 0.99 . . . . 0.0 111.407 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.34 -1.86 24.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.478 1.511 . . . . 0.0 112.886 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -145.1 139.34 27.27 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.07 1.748 . . . . 0.0 109.391 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -64.04 -25.37 68.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.735 0.814 . . . . 0.0 111.825 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -62.28 -40.24 95.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.36 1.064 . . . . 0.0 112.712 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.04 -36.04 56.37 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.706 0.802 . . . . 0.0 112.039 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -64.31 -39.15 93.34 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.578 1.151 . . . . 0.0 111.906 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.32 -41.06 70.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.645 1.178 . . . . 0.0 111.658 174.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -64.92 -36.18 83.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.039 -1.038 . . . . 0.0 113.339 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -71.38 -22.87 61.82 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.82 -43.37 65.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.389 0.995 . . . . 0.0 109.808 169.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -59.0 -32.42 69.68 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.609 0.763 . . . . 0.0 112.262 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.67 -41.35 99.03 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.903 0.881 . . . . 0.0 112.154 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.01 -43.82 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.536 -0.727 . . . . 0.0 110.621 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.77 -53.98 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.843 0.857 . . . . 0.0 110.673 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -66.29 -35.5 80.56 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.15 -30.72 70.56 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.996 173.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 46.3 t -73.52 -47.99 36.66 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.551 0.614 . . . . 0.0 111.435 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.5 -27.52 67.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.348 1.059 . . . . 0.0 112.428 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -73.69 -19.69 60.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.267 1.427 . . . . 0.0 114.284 171.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -126.39 56.76 1.44 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.97 1.708 . . . . 0.0 112.376 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -166.73 152.23 8.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.49 1.516 . . . . 0.0 112.068 173.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.53 157.11 22.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.341 1.056 . . . . 0.0 109.754 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -64.7 -11.29 34.3 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -172.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -109.48 1.08 19.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.667 1.587 . . . . 0.0 114.335 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 25.4 p -85.95 158.59 19.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.279 0.945 . . . . 0.0 112.435 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.3 tt -60.41 -42.0 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.945 0.898 . . . . 0.0 111.492 170.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -69.03 -36.45 77.76 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.734 1.213 . . . . 0.0 112.333 -172.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.84 -52.86 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.646 0.778 . . . . 0.0 110.571 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -37.35 87.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.695 1.198 . . . . 0.0 111.465 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.79 -34.88 71.98 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.102 0.865 . . . . 0.0 112.942 175.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.07 68.56 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.565 -0.709 . . . . 0.0 112.686 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.9 -41.67 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.481 0.582 . . . . 0.0 110.316 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -37.65 88.33 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.35 1.06 . . . . 0.0 112.195 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.38 -45.57 90.48 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.882 0.873 . . . . 0.0 111.931 169.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -57.17 -34.44 68.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.87 0.868 . . . . 0.0 112.834 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -83.48 -65.27 1.03 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.292 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.71 -44.14 74.52 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.53 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.61 -16.86 72.21 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 118.499 0.59 . . . . 0.0 113.251 175.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.65 87.82 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 118.158 0.979 . . . . 0.0 110.847 169.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.34 92.51 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.417 0.687 . . . . 0.0 111.892 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.53 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.3 t -61.92 -38.95 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.106 0.963 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.23 -39.59 71.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.637 0.775 . . . . 0.0 111.256 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -64.93 -48.52 73.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.232 1.013 . . . . 0.0 112.487 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -64.03 -32.02 73.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.765 0.826 . . . . 0.0 112.285 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.03 -22.61 19.04 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.263 1.025 . . . . 0.0 112.93 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -60.02 -32.75 71.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.198 0.999 . . . . 0.0 111.801 169.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -57.64 -30.41 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.793 1.237 . . . . 0.0 113.482 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -71.11 -25.11 62.45 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 112.26 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.15 -43.9 11.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.935 1.294 . . . . 0.0 111.921 170.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -31.03 71.78 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.14 -39.85 83.65 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.414 1.086 . . . . 0.0 112.695 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.0 -22.17 64.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.739 0.816 . . . . 0.0 112.752 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.39 -34.52 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.064 0.946 . . . . 0.0 110.517 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.86 -46.17 91.64 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.875 -0.516 . . . . 0.0 110.194 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.88 -45.75 70.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.909 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -64.75 -32.98 74.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.619 0.645 . . . . 0.0 112.529 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -77.26 -22.63 51.86 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.7 m -87.75 -38.06 16.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.644 1.178 . . . . 0.0 112.217 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.59 -40.95 76.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.546 1.066 . . . . 0.0 112.902 -176.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.35 -29.71 70.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 174.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.35 -15.95 60.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.422 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.97 -37.3 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.591 1.087 . . . . 0.0 109.546 169.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -66.13 -32.03 73.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.665 0.786 . . . . 0.0 112.375 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.04 -15.08 63.5 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -85.74 -6.83 59.07 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.6 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -109.63 78.1 1.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.479 1.912 . . . . 0.0 110.156 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -82.45 -7.18 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.055 1.342 . . . . 0.0 114.09 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.42 65.08 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.122 1.82 . . . . 0.0 113.889 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 62.4 26.35 15.72 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.457 1.903 . . . . 0.0 113.356 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.0 mt -74.26 -31.74 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.939 1.695 . . . . 0.0 112.25 -173.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -113.47 -16.16 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.824 1.65 . . . . 0.0 112.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -61.12 -23.96 65.9 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.85 1.26 . . . . 0.0 113.744 170.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.52 152.13 79.45 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.699 1.6 . . . . 0.0 112.066 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.88 151.76 68.47 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.861 3.707 . . . . 0.0 112.996 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.55 124.97 86.36 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 124.369 1.068 . . . . 0.0 109.766 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.44 117.19 4.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.282 2.655 . . . . 0.0 110.837 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.4 mt -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.6 m -69.8 -26.91 64.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.02 0.928 . . . . 0.0 112.429 170.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -92.62 -35.19 13.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.268 1.027 . . . . 0.0 111.84 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.11 82.44 66.1 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.981 1.312 . . . . 0.0 110.556 -176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.32 -12.69 18.95 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.283 2.655 . . . . 0.0 112.849 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -99.45 13.1 34.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.811 1.644 . . . . 0.0 112.912 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.88 -41.15 81.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.797 -1.189 . . . . 0.0 112.148 -176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.27 -18.96 59.96 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.211 1.404 . . . . 0.0 113.405 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.24 -27.43 59.49 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.063 0.945 . . . . 0.0 112.399 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -94.72 -33.74 12.81 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.067 0.947 . . . . 0.0 112.806 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.0 mm -118.56 113.01 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.195 1.398 . . . . 0.0 111.25 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -76.15 -27.66 57.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -133.45 81.61 54.39 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 125.009 1.323 . . . . 0.0 111.462 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.63 150.08 21.43 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.048 3.165 . . . . 0.0 111.491 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 41.9 ttm -164.83 157.13 16.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.067 1.347 . . . . 0.0 113.126 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -151.37 170.21 20.1 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.534 2.334 . . . . 0.0 110.571 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.33 -26.14 67.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.11 -41.57 90.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.125 0.57 . . . . 0.0 111.601 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 94.9 m -65.24 -41.09 94.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.95 0.9 . . . . 0.0 111.061 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.0 mmm -59.57 -49.91 75.92 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.462 0.574 . . . . 0.0 111.202 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.56 -44.9 81.38 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.6 -44.08 91.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.685 0.794 . . . . 0.0 111.744 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.87 -39.25 88.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.955 0.902 . . . . 0.0 112.012 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.24 -43.69 70.06 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.841 -1.162 . . . . 0.0 111.699 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.15 -11.04 60.44 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.221 1.008 . . . . 0.0 113.127 174.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.71 10.87 32.66 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.476 1.91 . . . . 0.0 112.901 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 63.44 22.93 13.47 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.128 1.771 . . . . 0.0 113.923 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.39 -27.01 64.94 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.298 1.039 . . . . 0.0 113.247 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -90.53 106.72 18.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.48 1.112 . . . . 0.0 111.306 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.28 -22.68 13.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.888 1.275 . . . . 0.0 112.829 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.56 150.65 51.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.514 1.926 . . . . 0.0 109.618 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.29 -24.37 66.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.835 0.454 . . . . 0.0 112.16 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.72 -44.48 73.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.164 1.385 . . . . 0.0 112.547 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 -33.07 64.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.644 0.778 . . . . 0.0 112.414 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -69.12 -35.7 76.71 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.088 0.955 . . . . 0.0 111.518 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.44 -36.09 63.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.339 1.455 . . . . 0.0 112.056 174.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -78.35 -31.97 48.84 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.07 -29.95 65.96 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.635 -0.665 . . . . 0.0 111.147 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -67.59 -43.45 80.49 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.072 -1.017 . . . . 0.0 110.283 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -58.21 -30.49 66.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.244 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.5 -44.79 77.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.193 0.997 . . . . 0.0 112.355 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.38 -39.9 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.988 0.915 . . . . 0.0 110.978 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.3 -60.33 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.489 0.715 . . . . 0.0 110.82 172.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 84.7 p -65.85 -36.18 82.74 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -74.91 -8.17 55.68 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.54 -47.54 8.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.405 0.682 . . . . 0.0 109.663 169.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.11 -25.29 67.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.341 1.057 . . . . 0.0 112.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -76.33 -15.43 59.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.914 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -144.03 81.1 1.67 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 111.183 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.42 169.15 4.47 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.492 1.917 . . . . 0.0 111.336 174.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 158.81 15.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.322 1.049 . . . . 0.0 111.415 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -77.56 10.14 2.85 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -128.77 9.09 5.84 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.133 1.773 . . . . 0.0 113.596 -172.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 66.9 p -105.66 162.67 13.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.911 1.284 . . . . 0.0 113.555 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -66.15 -40.56 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 111.277 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -68.51 -38.18 80.7 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.272 1.029 . . . . 0.0 112.939 -170.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.48 -49.77 72.31 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.121 0.568 . . . . 0.0 110.638 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -62.06 -33.17 73.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.599 1.16 . . . . 0.0 112.922 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.17 -35.01 78.86 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.542 1.065 . . . . 0.0 112.871 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.02 70.19 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.505 -0.747 . . . . 0.0 112.425 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.93 -40.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.108 0.563 . . . . 0.0 110.761 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -63.01 -42.83 99.92 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.884 0.874 . . . . 0.0 111.779 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.8 -45.33 92.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.233 1.013 . . . . 0.0 112.461 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -58.54 -32.89 69.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.948 0.899 . . . . 0.0 113.228 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -82.55 -63.08 1.44 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.622 1.169 . . . . 0.0 111.359 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.68 -49.85 60.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.84 0.856 . . . . 0.0 112.469 -170.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.62 -9.68 85.34 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.423 -0.654 . . . . 0.0 113.605 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.78 -33.81 88.23 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 118.399 1.1 . . . . 0.0 111.189 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.3 -41.88 72.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.849 0.86 . . . . 0.0 111.924 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.405 HG23 ' HA2' ' B' ' 140' ' ' GLY . 85.0 t -60.03 -38.65 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.461 1.104 . . . . 0.0 111.245 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.9 mt -71.2 -31.04 67.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.132 0.573 . . . . 0.0 111.871 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -45.84 49.73 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.047 0.839 . . . . 0.0 113.14 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.13 -23.56 67.17 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.756 1.223 . . . . 0.0 112.637 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.4 -32.02 12.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.619 0.767 . . . . 0.0 112.569 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.67 -39.27 87.82 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.467 1.107 . . . . 0.0 112.657 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -64.11 -18.29 64.26 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.87 -20.53 58.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.412 1.085 . . . . 0.0 112.712 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.99 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.931 1.292 . . . . 0.0 112.424 171.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.6 -31.93 73.23 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.432 0.693 . . . . 0.0 112.846 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 CA-C-O 119.118 -0.824 . . . . 0.0 114.673 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.15 -39.69 87.23 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.353 1.077 . . . . 0.0 112.828 173.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -24.34 61.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.679 0.791 . . . . 0.0 112.038 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.6 mt -68.46 -32.1 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.578 0.751 . . . . 0.0 111.072 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.64 -43.52 96.55 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.543 -0.723 . . . . 0.0 110.421 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.59 -44.19 71.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.03 0.532 . . . . 0.0 111.681 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.32 -31.41 72.02 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.91 -37.35 62.11 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 112.368 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.3 m -73.93 -47.43 37.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.158 1.383 . . . . 0.0 111.687 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.06 -36.17 76.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.214 0.916 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -71.63 -21.5 61.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.865 0.866 . . . . 0.0 112.877 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.36 -33.02 28.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.63 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.01 -32.89 74.35 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.158 1.345 . . . . 0.0 111.864 169.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -65.99 -16.13 63.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.237 1.015 . . . . 0.0 113.161 174.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -91.42 0.33 57.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.042 1.337 . . . . 0.0 112.931 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -103.33 -4.77 23.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.167 1.387 . . . . 0.0 113.621 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -105.19 99.74 9.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.787 1.635 . . . . 0.0 109.55 170.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.1 t -96.65 -0.17 48.89 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.939 1.296 . . . . 0.0 114.427 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.97 -9.71 44.76 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.186 1.374 . . . . 0.0 114.204 170.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 m120 61.39 23.47 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.516 1.926 . . . . 0.0 112.811 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 -31.93 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.739 1.616 . . . . 0.0 112.038 -173.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -112.92 -18.04 12.34 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.803 1.641 . . . . 0.0 112.135 -177.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -53.91 -25.81 22.02 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.41 1.484 . . . . 0.0 114.042 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.98 156.46 80.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.481 1.913 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.88 146.01 76.5 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.459 3.439 . . . . 0.0 111.84 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.39 126.65 92.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 123.857 0.863 . . . . 0.0 109.705 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 111.77 3.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.195 2.597 . . . . 0.0 110.669 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.84 -22.65 64.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.007 0.523 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.49 -17.96 48.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.107 1.363 . . . . 0.0 113.949 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -123.19 7.11 9.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.236 1.414 . . . . 0.0 113.747 170.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.5 t -149.51 73.17 9.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.974 1.709 . . . . 0.0 109.418 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.27 -12.51 15.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.926 2.418 . . . . 0.0 112.906 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.79 5.2 51.06 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.305 1.442 . . . . 0.0 113.142 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.03 -41.08 77.93 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.05 -1.031 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -74.33 -20.67 60.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.148 1.379 . . . . 0.0 113.343 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.94 -15.06 45.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.819 1.248 . . . . 0.0 112.891 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -108.28 -32.16 7.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.829 1.252 . . . . 0.0 113.003 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.11 116.5 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.475 1.51 . . . . 0.0 109.759 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -77.8 -28.35 50.38 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.13 67.38 80.61 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.898 1.679 . . . . 0.0 111.06 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.62 132.27 21.63 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.728 2.952 . . . . 0.0 110.77 -171.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.02 155.25 25.04 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -169.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -156.48 177.87 10.97 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.678 2.391 . . . . 0.0 110.984 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -58.89 -28.0 65.75 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.19 -39.36 89.65 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.626 1.103 . . . . 0.0 111.613 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.4 m -65.96 -42.11 90.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 0.0 111.157 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -62.12 -46.5 88.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.765 0.711 . . . . 0.0 111.311 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.8 -44.11 81.6 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.717 -0.614 . . . . 0.0 112.352 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -65.12 -42.51 93.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.028 0.931 . . . . 0.0 112.446 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -60.02 -40.25 88.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.052 0.541 . . . . 0.0 112.019 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.12 -40.32 71.5 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.149 0.98 . . . . 0.0 111.959 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.42 -18.78 62.48 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.542 1.137 . . . . 0.0 112.999 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.93 4.3 39.94 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.059 1.744 . . . . 0.0 113.227 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 64.94 23.81 12.62 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.707 2.003 . . . . 0.0 113.717 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -69.4 -21.68 63.75 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 112.831 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 103.28 14.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.767 1.227 . . . . 0.0 110.92 173.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.21 -15.01 18.25 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.246 1.418 . . . . 0.0 113.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -140.4 143.27 35.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.296 2.238 . . . . 0.0 110.002 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -67.68 -23.77 65.34 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.15 -39.65 93.26 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.666 -0.647 . . . . 0.0 112.709 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.02 -27.96 54.76 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.318 0.963 . . . . 0.0 112.483 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.09 -38.41 78.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.597 0.759 . . . . 0.0 111.719 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.71 -36.74 67.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.823 1.249 . . . . 0.0 112.027 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.64 -31.57 62.01 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.31 -27.43 67.16 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.612 -0.68 . . . . 0.0 112.359 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -71.26 -43.61 66.88 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.895 0.77 . . . . 0.0 110.857 169.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.53 -32.02 69.94 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.687 -0.633 . . . . 0.0 112.516 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.37 -45.43 93.21 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.871 1.268 . . . . 0.0 111.833 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.97 -44.37 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.783 0.833 . . . . 0.0 110.75 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.73 -57.95 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.709 0.804 . . . . 0.0 110.494 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.1 p -65.86 -34.16 77.5 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.01 -21.11 66.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.034 -1.041 . . . . 0.0 113.752 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -74.54 -49.08 23.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.797 0.726 . . . . 0.0 110.962 171.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.11 -36.47 84.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.144 1.378 . . . . 0.0 111.72 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -67.67 -17.22 64.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.275 1.43 . . . . 0.0 114.571 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -111.11 2.28 17.79 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.99 156.22 36.82 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.565 -1.334 . . . . 0.0 111.383 -170.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.08 175.84 9.69 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.682 0.753 . . . . 0.0 111.943 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -0.81 10.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -170.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.31 17.47 0.94 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 69.8 p -84.91 158.22 20.63 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.23 -0.919 . . . . 0.0 112.458 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.64 -43.88 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.308 1.043 . . . . 0.0 112.115 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -68.75 -39.76 80.14 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.737 0.815 . . . . 0.0 111.793 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -56.71 -49.84 73.96 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.811 . . . . 0.0 110.5 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -70.94 -26.91 63.39 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.3 82.36 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.432 1.014 . . . . 0.0 112.171 170.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.55 71.32 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.485 -0.76 . . . . 0.0 112.268 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.34 -42.93 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.277 0.631 . . . . 0.0 110.603 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -62.02 -44.14 97.35 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.014 0.926 . . . . 0.0 111.82 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -58.37 -44.08 88.72 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.096 0.862 . . . . 0.0 112.217 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -57.68 -30.88 65.83 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -87.69 -62.49 1.48 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.873 1.269 . . . . 0.0 111.351 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.88 -48.09 78.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.868 0.867 . . . . 0.0 112.044 -171.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.449 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -88.63 -9.57 68.7 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.697 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.82 92.53 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 118.561 1.18 . . . . 0.0 110.65 169.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.12 97.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.771 0.828 . . . . 0.0 111.875 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.449 HG23 ' HA2' ' B' ' 140' ' ' GLY . 47.5 t -63.38 -35.73 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.478 1.111 . . . . 0.0 111.825 -177.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.8 mt -73.31 -39.23 65.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.535 0.734 . . . . 0.0 111.5 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -68.57 -39.65 80.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.04 0.936 . . . . 0.0 113.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.0 -33.79 68.37 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.429 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.88 -26.57 25.55 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.749 -0.594 . . . . 0.0 111.453 -170.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -59.61 -32.18 70.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.83 1.652 . . . . 0.0 111.662 169.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -59.15 -33.22 70.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.934 0.894 . . . . 0.0 113.023 175.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.22 -20.58 61.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.839 1.256 . . . . 0.0 112.789 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.84 -40.2 13.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.151 0.98 . . . . 0.0 112.613 171.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.3 -31.4 69.85 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.752 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.52 -38.8 85.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.244 1.018 . . . . 0.0 112.402 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -22.06 61.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.702 1.201 . . . . 0.0 112.446 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.29 -38.74 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.91 0.884 . . . . 0.0 111.524 171.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.21 -45.09 65.09 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.938 0.79 . . . . 0.0 110.758 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.42 -27.13 68.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.502 0.721 . . . . 0.0 112.362 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -68.02 -50.55 54.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.085 0.857 . . . . 0.0 110.214 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.86 -39.93 86.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.68 1.192 . . . . 0.0 111.964 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -70.33 -49.38 49.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.809 1.244 . . . . 0.0 111.633 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.1 -37.68 80.7 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.614 1.097 . . . . 0.0 112.349 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.69 -19.43 64.38 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -88.9 -29.55 19.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.0 0.92 . . . . 0.0 112.022 173.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -30.91 71.47 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.155 1.343 . . . . 0.0 111.653 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -68.71 -18.22 64.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -82.21 -0.44 45.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.007 . . . . 0.0 112.629 172.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -106.13 2.87 27.42 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.599 1.56 . . . . 0.0 113.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -122.91 101.31 7.36 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.877 1.671 . . . . 0.0 109.887 170.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t -102.6 -0.08 32.52 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.91 1.284 . . . . 0.0 114.366 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.69 -10.86 54.98 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.196 1.379 . . . . 0.0 114.03 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.3 28.11 16.21 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.626 1.97 . . . . 0.0 113.455 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.91 -32.05 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.178 1.391 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -115.06 -15.63 11.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.574 1.549 . . . . 0.0 111.885 -177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 44.9 m -53.79 -27.76 31.05 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.31 150.94 66.03 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 126.457 1.903 . . . . 0.0 112.197 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.31 153.44 78.26 Favored 'Trans proline' 0 CA--C 1.539 0.755 1 C-N-CA 125.409 4.072 . . . . 0.0 112.738 -174.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 46.0 t -59.99 126.88 84.74 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.951 0.9 . . . . 0.0 110.008 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 111.6 2.96 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.29 2.66 . . . . 0.0 110.459 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.71 -18.87 62.8 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -59.53 -18.37 39.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.076 1.35 . . . . 0.0 113.815 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.93 8.56 10.49 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.277 1.431 . . . . 0.0 113.761 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 43.7 t -148.35 90.79 4.89 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.646 1.578 . . . . 0.0 110.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.63 -5.36 12.44 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.19 2.593 . . . . 0.0 113.006 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.21 6.28 26.54 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.647 1.579 . . . . 0.0 113.78 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.69 -43.6 85.24 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.831 -1.168 . . . . 0.0 112.25 -172.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.56 -18.97 61.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.21 1.404 . . . . 0.0 113.55 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.43 -12.54 59.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.501 1.12 . . . . 0.0 112.934 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -114.67 -26.25 7.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.839 1.256 . . . . 0.0 113.658 173.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mm -116.06 108.8 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.46 1.504 . . . . 0.0 110.009 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.91 -26.82 43.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.647 1.179 . . . . 0.0 113.54 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -129.17 72.51 81.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.086 1.754 . . . . 0.0 110.854 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.2 134.85 21.76 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.338 2.692 . . . . 0.0 111.105 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.419 ' HB2' HD23 ' B' ' 114' ' ' LEU . 2.9 tpt -147.53 159.28 43.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.011 1.324 . . . . 0.0 113.433 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -159.36 160.04 34.54 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.017 1.727 . . . . 0.0 111.348 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.53 -33.49 63.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.65 0.78 . . . . 0.0 112.88 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.05 -43.5 98.46 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.009 0.523 . . . . 0.0 111.405 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -64.22 -43.53 94.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.729 0.812 . . . . 0.0 111.246 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.8 mtp -61.52 -45.7 93.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.697 0.681 . . . . 0.0 112.008 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.82 -47.55 84.41 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.521 -0.737 . . . . 0.0 112.405 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -60.72 -43.42 97.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.706 0.803 . . . . 0.0 111.812 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.46 -40.68 97.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.829 0.852 . . . . 0.0 112.481 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.54 -41.79 79.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.23 -0.919 . . . . 0.0 111.651 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.8 -9.7 52.54 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.786 0.834 . . . . 0.0 113.101 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.45 8.48 35.67 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.18 1.792 . . . . 0.0 113.21 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 64.54 25.38 13.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.695 1.998 . . . . 0.0 114.268 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -64.36 -26.11 68.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.677 1.191 . . . . 0.0 113.607 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -91.77 103.18 15.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.479 1.112 . . . . 0.0 111.868 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.92 -10.82 22.29 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.053 1.341 . . . . 0.0 113.166 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -144.05 146.53 32.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.022 1.729 . . . . 0.0 110.028 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.49 -25.84 67.66 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 122.079 -0.388 . . . . 0.0 111.705 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.76 -22.35 66.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.786 1.634 . . . . 0.0 113.892 176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -92.36 -38.96 11.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.5 1.12 . . . . 0.0 111.537 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.66 -39.82 91.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.219 1.007 . . . . 0.0 112.243 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.73 -35.16 76.77 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.11 0.964 . . . . 0.0 111.719 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -79.16 -32.85 44.43 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.255 1.422 . . . . 0.0 112.227 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.25 -28.38 67.17 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.402 -0.811 . . . . 0.0 112.158 170.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.99 -42.47 66.43 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.777 0.717 . . . . 0.0 110.776 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -56.1 -34.54 66.13 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.905 -0.497 . . . . 0.0 111.626 172.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' B' ' 88' ' ' MET . 9.6 tp -64.08 -39.36 93.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.2 1.4 . . . . 0.0 112.635 177.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.23 -44.33 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.907 0.883 . . . . 0.0 110.579 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.83 -55.28 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.808 0.843 . . . . 0.0 110.577 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.7 p -64.83 -31.08 72.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.89 -32.01 73.27 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.07 -1.019 . . . . 0.0 112.76 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.3 t -71.64 -24.49 61.87 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.167 -0.958 . . . . 0.0 112.48 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.07 2.52 51.75 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.172 1.389 . . . . 0.0 112.668 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -118.33 -18.26 9.27 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.941 1.697 . . . . 0.0 114.885 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -139.55 82.59 1.89 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.403 1.481 . . . . 0.0 110.787 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -171.42 -179.03 2.48 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.21 1.804 . . . . 0.0 112.333 -169.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.71 158.11 26.17 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.826 1.65 . . . . 0.0 108.84 169.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.72 -2.17 19.29 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -124.02 6.95 8.59 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.429 1.492 . . . . 0.0 114.01 -172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 33.0 p -83.57 157.33 22.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.06 0.933 . . . . 0.0 113.355 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.9 tt -60.29 -40.62 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.292 1.037 . . . . 0.0 110.751 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.35 -43.13 86.9 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.039 1.336 . . . . 0.0 112.41 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -56.95 -48.71 77.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.292 1.037 . . . . 0.0 110.99 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -73.55 -26.37 60.82 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.1 79.84 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.73 1.15 . . . . 0.0 112.257 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.18 70.61 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.472 -0.768 . . . . 0.0 112.643 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.72 -40.73 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 0.0 110.577 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.3 -43.53 98.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 112.073 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.81 -44.57 93.93 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.827 0.851 . . . . 0.0 112.378 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -59.27 -31.69 69.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.912 0.885 . . . . 0.0 113.147 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -87.93 -64.25 1.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.068 1.347 . . . . 0.0 111.136 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.19 -45.83 65.82 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.371 0.668 . . . . 0.0 112.23 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' GLY . . . . . 0.466 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.29 -12.24 82.41 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 118.444 0.566 . . . . 0.0 113.12 173.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.93 -37.3 94.44 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.35 94.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.726 0.763 . . . . 0.0 112.147 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.466 HG23 ' HA2' ' B' ' 140' ' ' GLY . 42.3 t -63.78 -36.8 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.159 0.983 . . . . 0.0 111.874 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.45 -38.17 68.34 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.672 0.789 . . . . 0.0 111.55 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -66.59 -48.7 68.72 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.245 1.018 . . . . 0.0 112.963 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.23 -35.88 82.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.373 1.069 . . . . 0.0 112.382 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.76 -26.29 22.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.744 0.818 . . . . 0.0 112.509 -169.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.11 -28.53 67.94 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.443 1.497 . . . . 0.0 112.198 169.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -63.11 -28.25 69.95 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.235 -0.915 . . . . 0.0 113.136 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.91 -21.95 62.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.244 1.018 . . . . 0.0 112.688 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 -41.71 11.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.81 1.244 . . . . 0.0 112.775 173.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.39 -27.54 63.4 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 O-C-N 121.138 -0.976 . . . . 0.0 113.518 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.91 0.386 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.32 135.36 7.77 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.431 1.491 . . . . 0.0 112.753 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -146.4 71.91 1.27 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.351 1.861 . . . . 0.0 110.024 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.11 178.4 23.24 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.879 1.228 . . . . 0.0 113.389 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.697 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.96 5.02 0.07 OUTLIER Glycine 0 CA--C 1.538 1.494 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.28 31.68 65.92 Favored Glycine 0 N--CA 1.475 1.251 0 CA-C-N 119.153 1.476 . . . . 0.0 115.018 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -133.12 136.96 46.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.833 1.253 . . . . 0.0 112.515 -171.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 -153.58 5.96 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.924 1.726 . . . . 0.0 113.245 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.255 1.378 0 C-N-CA 127.228 2.211 . . . . 0.0 112.289 -179.28 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -159.9 151.33 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.239 1.416 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p -173.37 -166.92 0.36 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.483 1.913 . . . . 0.0 110.796 -169.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.93 6.83 Favored Glycine 0 N--CA 1.473 1.13 0 O-C-N 121.099 -1.001 . . . . 0.0 113.52 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -73.37 -1.56 18.67 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -148.17 154.95 40.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.062 1.745 . . . . 0.0 110.941 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.21 91.13 Favored Glycine 0 N--CA 1.47 0.919 0 O-C-N 121.275 -0.891 . . . . 0.0 112.757 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -62.71 -42.19 99.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.6 1.16 . . . . 0.0 112.55 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.53 -35.85 82.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.655 0.782 . . . . 0.0 111.342 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.48 -33.91 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.892 0.877 . . . . 0.0 112.091 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.56 -45.74 77.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.191 0.905 . . . . 0.0 110.52 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.31 -35.28 79.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.269 0.627 . . . . 0.0 111.414 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -59.06 -52.54 65.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.523 0.729 . . . . 0.0 110.857 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -70.46 -30.41 67.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.623 0.769 . . . . 0.0 112.868 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.5 m -72.15 -43.28 64.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.411 1.085 . . . . 0.0 111.089 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.36 -36.65 78.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.128 0.876 . . . . 0.0 111.998 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.82 -22.66 64.23 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -79.62 -39.04 32.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.299 0.954 . . . . 0.0 111.413 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.87 -32.05 73.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.704 1.138 . . . . 0.0 112.136 172.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.89 -19.73 65.98 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -89.44 5.94 43.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.183 0.993 . . . . 0.0 112.885 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -102.34 -4.06 26.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 113.062 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -117.49 91.81 3.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.134 1.774 . . . . 0.0 110.183 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -92.46 -3.12 55.68 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.796 1.239 . . . . 0.0 114.255 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.87 -10.59 56.27 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.182 1.372 . . . . 0.0 114.182 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 56.69 31.4 19.24 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.323 1.849 . . . . 0.0 113.328 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.46 -32.03 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.888 1.275 . . . . 0.0 111.722 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.36 -19.62 12.55 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.821 1.648 . . . . 0.0 112.046 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.8 m -49.29 -27.01 3.44 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.03 1.732 . . . . 0.0 114.221 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.6 158.57 75.25 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 126.933 2.093 . . . . 0.0 111.508 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.74 149.09 90.23 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.537 3.491 . . . . 0.0 111.946 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.93 125.82 88.69 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.839 . . . . 0.0 109.63 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.06 110.68 2.88 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.276 2.651 . . . . 0.0 110.592 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -69.11 -21.84 64.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.033 0.533 . . . . 0.0 112.27 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.96 -18.69 58.64 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 113.946 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.92 2.7 11.04 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.981 1.312 . . . . 0.0 114.132 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 17.9 t -148.03 81.93 8.01 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.643 1.577 . . . . 0.0 109.746 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.26 -15.69 15.9 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.919 2.412 . . . . 0.0 112.965 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -94.31 3.39 55.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.296 1.438 . . . . 0.0 113.496 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.02 -41.67 78.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.971 -1.08 . . . . 0.0 112.375 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.88 -19.48 58.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.986 1.314 . . . . 0.0 113.282 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.11 -17.79 36.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.716 1.206 . . . . 0.0 112.929 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.91 -26.59 11.15 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.538 1.135 . . . . 0.0 113.592 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.34 116.6 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.108 1.363 . . . . 0.0 109.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -72.24 -29.5 63.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -142.66 75.39 18.57 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.445 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.56 141.54 31.4 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.106 2.537 . . . . 0.0 111.437 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 67.7 mmm -149.83 168.16 24.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.808 2.043 . . . . 0.0 111.509 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -167.38 167.9 13.54 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.221 2.208 . . . . 0.0 111.262 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.39 -27.52 69.06 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -69.59 -40.45 76.67 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.816 0.735 . . . . 0.0 110.767 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 29.5 m -68.21 -37.87 81.34 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 111.304 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 58.6 mmm -55.22 -54.08 47.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.752 0.821 . . . . 0.0 111.041 170.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -58.28 -46.79 85.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.881 0.873 . . . . 0.0 113.292 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.938 0.895 . . . . 0.0 111.726 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.73 -41.15 90.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.614 0.766 . . . . 0.0 111.702 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.02 -45.46 77.46 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.88 -1.138 . . . . 0.0 111.686 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -66.55 -15.2 63.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.095 0.958 . . . . 0.0 113.357 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.71 14.35 32.17 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.164 1.786 . . . . 0.0 113.103 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 62.36 30.34 17.38 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.934 1.694 . . . . 0.0 113.45 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.14 -15.63 55.31 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 113.303 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -113.73 100.98 8.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.194 1.398 . . . . 0.0 111.696 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -3.95 21.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.647 1.579 . . . . 0.0 113.133 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -142.7 143.06 32.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.174 1.79 . . . . 0.0 109.945 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -67.02 -26.42 66.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.883 0.473 . . . . 0.0 112.222 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.71 -43.04 80.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.156 1.382 . . . . 0.0 112.655 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -72.87 -40.51 65.57 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.657 0.662 . . . . 0.0 111.812 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.84 -36.24 82.58 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.981 0.912 . . . . 0.0 111.959 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.36 -44.03 65.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 111.79 172.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.2 -34.91 75.63 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.011 -1.056 . . . . 0.0 113.744 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -70.71 -29.1 65.28 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.521 -0.737 . . . . 0.0 112.661 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.89 -44.83 79.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.243 0.929 . . . . 0.0 110.826 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -57.96 -38.71 76.53 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.752 -0.593 . . . . 0.0 111.918 172.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.86 -45.15 95.67 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 111.642 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.14 -44.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.619 1.167 . . . . 0.0 111.603 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.62 -55.53 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.549 0.74 . . . . 0.0 110.476 172.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -35.0 77.04 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.82 -22.52 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.829 -1.169 . . . . 0.0 113.485 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.82 -53.42 10.28 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.478 0.581 . . . . 0.0 109.712 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.24 -26.24 62.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.163 1.785 . . . . 0.0 113.149 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -80.9 -15.07 57.3 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.67 1.588 . . . . 0.0 115.151 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -137.2 63.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.233 1.413 . . . . 0.0 113.236 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.41 168.5 20.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.377 1.471 . . . . 0.0 112.881 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.68 152.59 19.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.392 1.077 . . . . 0.0 109.747 169.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.02 20.56 0.05 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.627 1.971 . . . . 0.0 115.993 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -147.96 6.28 0.79 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.856 1.662 . . . . 0.0 113.958 -169.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.0 p -90.7 162.8 14.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.901 0.881 . . . . 0.0 112.739 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.43 -43.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.016 0.926 . . . . 0.0 111.11 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.697 ' HB3' HH32 ' A' ' 5' ' ' ALY . 50.7 m-85 -67.11 -40.65 86.9 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.703 1.201 . . . . 0.0 111.966 -173.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -57.86 -51.66 68.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.256 1.022 . . . . 0.0 111.13 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -70.95 -27.63 63.88 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.78 82.13 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.107 -0.996 . . . . 0.0 112.472 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.36 74.51 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.488 -0.758 . . . . 0.0 112.019 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.23 -38.47 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.4 0.68 . . . . 0.0 111.007 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.3 -45.58 87.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.521 0.728 . . . . 0.0 111.954 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.3 -44.29 92.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.845 0.858 . . . . 0.0 112.412 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -56.65 -32.7 65.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.562 1.145 . . . . 0.0 113.113 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.31 -62.82 1.38 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.166 1.386 . . . . 0.0 111.588 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.73 -48.35 64.02 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 112.635 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -79.59 -9.66 86.63 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.691 -0.631 . . . . 0.0 113.098 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.3 91.6 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.275 1.038 . . . . 0.0 111.206 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.65 82.58 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.37 1.068 . . . . 0.0 112.772 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.404 HG23 ' HA2' ' B' ' 140' ' ' GLY . 99.7 t -61.2 -37.35 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.089 0.956 . . . . 0.0 111.181 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.47 -31.01 66.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.384 0.674 . . . . 0.0 111.981 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.17 -54.75 11.56 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.74 1.155 . . . . 0.0 113.374 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.17 -22.28 62.72 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.642 1.177 . . . . 0.0 113.15 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.069 0.948 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -58.44 -40.88 83.77 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.75 1.22 . . . . 0.0 112.177 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -62.88 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -75.87 -22.14 56.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.37 1.068 . . . . 0.0 112.52 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.18 -44.64 10.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.916 1.286 . . . . 0.0 111.913 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.25 -32.87 73.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -24.58 67.89 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -111.2 -13.42 14.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.631 1.572 . . . . 0.0 114.375 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -78.88 -14.61 81.83 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.719 1.152 . . . . 0.0 113.381 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 5.0 t 62.97 -159.96 0.31 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.897 1.679 . . . . 0.0 112.872 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 95.19 -163.21 24.1 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.354 1.454 . . . . 0.0 113.645 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.97 168.23 25.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 124.331 3.354 . . . . 0.0 112.425 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 72.4 m -141.91 158.06 44.24 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.611 1.564 . . . . 0.0 111.654 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 3.2 t 73.31 179.97 0.21 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.595 1.958 . . . . 0.0 113.27 -176.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 C-N-CA 125.516 1.531 . . . . 0.0 112.87 -177.236 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.79 161.4 24.52 Favored Glycine 0 N--CA 1.475 1.255 0 C-N-CA 125.208 1.385 . . . . 0.0 113.397 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -117.86 -10.87 10.38 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.583 1.553 . . . . 0.0 113.548 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.41 -169.35 40.42 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.694 1.616 . . . . 0.0 113.261 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.429 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.13 130.17 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 127.803 2.62 . . . . 0.0 111.158 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.35 -153.3 28.55 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.029 1.3 . . . . 0.0 113.272 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? 69.16 13.18 8.63 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.417 1.887 . . . . 0.0 114.61 170.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.79 172.43 32.52 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.889 1.709 . . . . 0.0 113.796 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.951 2.1 . . . . 0.0 110.84 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -80.3 128.69 33.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.99 0.916 . . . . 0.0 111.943 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -136.9 16.26 3.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.647 1.179 . . . . 0.0 113.159 -174.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.99 -118.32 5.36 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.863 1.22 . . . . 0.0 111.453 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -60.64 146.4 45.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.938 1.295 . . . . 0.0 113.52 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.86 96.35 3.68 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.349 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.35 -37.65 4.76 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.197 1.379 . . . . 0.0 113.003 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -54.59 -40.1 68.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.843 1.257 . . . . 0.0 112.489 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.81 -19.09 62.04 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.983 0.913 . . . . 0.0 113.458 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.19 -34.45 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.482 0.713 . . . . 0.0 110.776 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.99 -40.07 83.74 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.761 -0.587 . . . . 0.0 110.485 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.78 -44.23 77.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.235 0.614 . . . . 0.0 111.546 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -65.24 -40.54 94.17 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.97 0.805 . . . . 0.0 111.926 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.53 -30.35 70.64 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 112.862 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 32.2 m -73.1 -46.44 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.53 1.132 . . . . 0.0 110.645 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.4 tp -57.85 -38.59 75.94 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 112.909 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.55 -23.37 64.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.561 0.745 . . . . 0.0 112.905 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -83.44 -25.02 31.6 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 120.958 -1.089 . . . . 0.0 113.203 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.92 -22.02 65.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.136 . . . . 0.0 112.237 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -73.8 -20.79 60.36 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.367 -0.833 . . . . 0.0 112.895 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.71 6.54 8.67 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.924 0.89 . . . . 0.0 112.704 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -117.19 1.53 12.5 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.397 1.879 . . . . 0.0 112.99 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -126.55 83.66 2.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.003 2.121 . . . . 0.0 109.115 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.3 t -84.3 -5.68 59.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.754 1.222 . . . . 0.0 113.872 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.9 -12.39 60.52 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.535 1.54 . . . . 0.0 113.666 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 59.77 25.99 15.08 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.482 1.913 . . . . 0.0 113.022 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -71.6 -34.46 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.447 1.499 . . . . 0.0 112.122 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -108.47 -18.6 13.7 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.024 1.33 . . . . 0.0 112.22 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -54.38 -24.08 18.23 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.139 1.376 . . . . 0.0 114.112 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.15 152.73 80.69 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.864 1.666 . . . . 0.0 112.406 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.5 149.78 62.68 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 125.01 3.806 . . . . 0.0 113.312 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.23 125.1 91.17 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 124.399 1.08 . . . . 0.0 109.876 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 124.53 7.56 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 0.0 111.745 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.92 -16.94 62.12 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 27.9 m -68.63 -27.33 65.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.879 0.872 . . . . 0.0 112.559 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -94.04 -34.0 13.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.28 1.032 . . . . 0.0 112.017 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.16 81.2 69.19 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 110.098 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.01 -14.56 16.87 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.227 2.618 . . . . 0.0 112.988 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -98.82 11.9 37.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.676 1.59 . . . . 0.0 112.918 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -56.81 -38.24 72.31 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.864 -1.147 . . . . 0.0 112.512 -175.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.52 -20.18 54.65 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.272 1.429 . . . . 0.0 113.231 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.72 -25.13 41.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.6 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -99.58 -29.59 12.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.131 0.972 . . . . 0.0 113.424 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 121.28 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.821 1.248 . . . . 0.0 111.133 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -75.14 -31.16 60.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.92 1.288 . . . . 0.0 114.106 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -141.05 73.49 26.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.035 1.734 . . . . 0.0 111.225 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.46 135.65 16.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.721 2.947 . . . . 0.0 111.483 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.9 tpt -148.4 157.68 43.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.393 1.077 . . . . 0.0 113.507 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -151.74 166.38 31.52 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 112.025 -174.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.19 -30.27 70.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.56 -39.55 84.95 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.794 0.724 . . . . 0.0 110.729 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -34.78 76.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.399 1.08 . . . . 0.0 111.464 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 61.6 mmm -57.16 -55.01 40.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.895 0.878 . . . . 0.0 110.617 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.85 -42.54 98.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 112.68 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -61.7 -48.38 81.05 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.498 1.119 . . . . 0.0 111.77 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.61 -35.14 79.94 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.42 -43.65 66.36 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.403 -0.811 . . . . 0.0 111.853 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.58 -10.28 59.6 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.818 0.847 . . . . 0.0 113.027 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.38 1.46 49.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.733 1.613 . . . . 0.0 113.343 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 64.4 41.87 5.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.732 1.613 . . . . 0.0 112.652 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -93.91 -13.47 27.1 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.367 1.067 . . . . 0.0 113.763 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -92.39 -67.69 0.84 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.036 0.935 . . . . 0.0 113.005 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 2.71 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.751 2.421 . . . . 0.0 115.693 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -153.51 139.3 18.01 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.637 1.975 . . . . 0.0 108.838 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.64 -27.29 69.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.031 0.533 . . . . 0.0 111.206 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -65.44 -26.6 68.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 113.26 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -89.91 -37.62 14.27 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.272 1.029 . . . . 0.0 111.655 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -63.51 -39.42 94.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.388 1.075 . . . . 0.0 112.336 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.18 -40.01 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.547 1.139 . . . . 0.0 111.895 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.07 -31.75 70.73 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.211 -0.93 . . . . 0.0 113.299 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.56 -26.29 59.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.684 -0.635 . . . . 0.0 112.638 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.07 -41.61 73.92 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.109 -0.994 . . . . 0.0 110.741 169.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -58.92 -29.78 67.35 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.255 0.622 . . . . 0.0 112.185 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.48 -45.55 90.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.011 0.925 . . . . 0.0 111.721 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.33 -47.17 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.546 1.139 . . . . 0.0 110.975 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.03 -50.43 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.225 1.01 . . . . 0.0 110.352 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.3 t -58.43 -39.29 79.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.995 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -59.55 -29.65 68.07 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.027 -1.045 . . . . 0.0 113.559 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 17.8 t -79.9 -42.78 23.46 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.761 0.71 . . . . 0.0 111.67 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.62 -20.36 64.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.008 0.923 . . . . 0.0 112.324 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -89.21 -19.06 25.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -149.75 69.44 1.03 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.039 1.335 . . . . 0.0 112.956 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.68 152.88 5.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.173 1.789 . . . . 0.0 110.508 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.9 32.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.909 0.862 . . . . 0.0 112.666 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 6.07 1.64 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 117.245 2.313 . . . . 0.0 117.245 -169.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.21 16.95 1.07 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.751 1.22 . . . . 0.0 114.139 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.5 p -94.0 162.81 13.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.575 1.15 . . . . 0.0 112.941 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.47 -42.74 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.368 1.067 . . . . 0.0 111.054 169.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.429 ' HB3' HH32 ' A' ' 5' ' ' ALY . 47.4 m-85 -67.05 -43.98 81.32 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.78 1.232 . . . . 0.0 111.842 -173.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.24 -44.3 95.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.117 0.567 . . . . 0.0 110.799 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.1 -35.79 82.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.174 0.99 . . . . 0.0 113.228 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.9 72.72 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.454 1.024 . . . . 0.0 112.539 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.65 75.78 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.693 -0.63 . . . . 0.0 112.593 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.55 -41.77 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 0.0 110.602 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.479 0.712 . . . . 0.0 111.534 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.14 -46.02 92.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.057 0.943 . . . . 0.0 112.639 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -59.71 -31.31 69.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.445 1.098 . . . . 0.0 113.339 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -89.0 -65.6 1.0 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.768 1.227 . . . . 0.0 111.679 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -69.75 -47.01 64.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.619 0.768 . . . . 0.0 112.538 -169.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.463 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.52 -13.03 79.33 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.64 0.654 . . . . 0.0 113.282 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.0 -33.02 86.12 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 118.167 0.984 . . . . 0.0 110.646 169.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.68 81.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.916 0.886 . . . . 0.0 112.08 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.463 HG23 ' HA2' ' B' ' 140' ' ' GLY . 49.1 t -63.0 -39.87 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.892 0.877 . . . . 0.0 111.746 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.08 -40.16 82.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.491 0.716 . . . . 0.0 111.386 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -68.24 -45.14 74.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.091 0.956 . . . . 0.0 113.205 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.22 -35.24 77.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.282 1.033 . . . . 0.0 112.067 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.58 -25.13 22.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.742 0.817 . . . . 0.0 112.666 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -61.15 -27.5 68.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.719 1.208 . . . . 0.0 112.394 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -64.01 -22.3 66.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -70.59 -26.03 63.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.15 15.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.424 1.09 . . . . 0.0 112.122 171.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -66.14 -34.15 77.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -26.52 68.59 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -102.97 -17.92 15.24 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.211 1.405 . . . . 0.0 114.17 176.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.92 -6.38 82.42 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.131 1.348 . . . . 0.0 113.997 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 22.4 t -67.42 134.43 51.4 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.753 1.221 . . . . 0.0 112.545 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -115.2 -170.59 16.33 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.725 1.631 . . . . 0.0 113.858 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -81.25 4.06 7.3 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.529 3.486 . . . . 0.0 114.344 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 65.0 m -124.64 149.24 47.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.881 1.672 . . . . 0.0 111.869 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 28.7 m 65.58 33.05 8.84 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.459 1.504 . . . . 0.0 113.865 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 C-N-CA 125.849 1.69 . . . . 0.0 112.967 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.12 -128.23 28.09 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.067 0.841 . . . . 0.0 112.09 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 72.64 173.53 0.3 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.463 1.905 . . . . 0.0 114.014 172.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.37 164.81 54.36 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.27 1.414 . . . . 0.0 113.348 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.453 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.05 159.62 31.69 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.807 1.194 . . . . 0.0 113.768 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.94 -137.77 9.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 125.678 1.609 . . . . 0.0 112.764 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 147.52 52.28 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.633 1.573 . . . . 0.0 111.692 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.59 177.32 34.57 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.095 1.331 . . . . 0.0 114.125 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 128.192 2.597 . . . . 0.0 112.233 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -158.69 135.37 9.52 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.827 1.251 . . . . 0.0 110.782 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.6 t -167.63 141.45 3.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.282 1.433 . . . . 0.0 111.516 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.33 1.29 69.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.924 1.25 . . . . 0.0 113.914 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -85.4 -10.13 56.65 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.495 1.148 . . . . 0.0 113.664 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -82.88 73.74 9.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.494 -1.379 . . . . 0.0 112.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.7 -35.67 62.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.039 1.304 . . . . 0.0 113.33 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -58.32 -39.88 80.57 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.129 0.965 . . . . 0.0 112.348 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.19 -20.19 64.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.939 0.896 . . . . 0.0 112.922 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.6 -37.8 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.896 0.878 . . . . 0.0 111.14 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 64.9 mt -52.86 -39.6 62.73 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.091 0.957 . . . . 0.0 111.798 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.85 -27.9 65.22 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.52 0.728 . . . . 0.0 111.535 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -69.74 -48.66 58.62 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.743 0.817 . . . . 0.0 110.028 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -34.85 76.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.489 1.116 . . . . 0.0 112.107 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -76.52 -48.01 20.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.477 1.111 . . . . 0.0 111.389 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.94 -39.92 79.24 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.669 1.122 . . . . 0.0 112.663 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.13 -27.51 65.63 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -74.88 -31.75 61.68 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.526 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.53 -31.88 73.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.302 0.956 . . . . 0.0 112.191 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -71.82 -22.38 61.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.957 0.799 . . . . 0.0 112.906 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.092 0.86 . . . . 0.0 112.697 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.14 -9.12 56.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.374 1.07 . . . . 0.0 113.872 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -108.85 79.79 1.26 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.971 1.708 . . . . 0.0 110.059 171.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -84.49 -5.67 59.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.628 1.171 . . . . 0.0 113.957 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.07 -10.49 64.37 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.481 1.515 . . . . 0.0 113.772 169.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.46 24.73 14.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.663 1.985 . . . . 0.0 113.143 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.71 -35.64 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.321 1.449 . . . . 0.0 112.111 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -110.03 -20.79 12.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 112.225 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -60.47 -19.64 57.3 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.833 1.253 . . . . 0.0 113.701 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -125.62 153.09 72.82 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.787 1.635 . . . . 0.0 111.77 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.47 144.53 61.53 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 124.56 3.506 . . . . 0.0 112.341 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -61.12 126.53 86.24 Favored Pre-proline 0 N--CA 1.482 1.127 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.574 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.74 111.08 3.21 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.507 2.805 . . . . 0.0 111.051 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.27 -19.95 61.61 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -26.35 68.5 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.258 1.023 . . . . 0.0 113.042 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.97 1.67 14.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.044 1.338 . . . . 0.0 114.027 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 t -143.4 75.4 16.78 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.494 1.518 . . . . 0.0 110.102 172.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.15 -10.29 16.45 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.144 2.563 . . . . 0.0 113.471 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.82 5.31 38.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.717 1.207 . . . . 0.0 113.018 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.83 -44.28 81.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.497 1.119 . . . . 0.0 112.257 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.78 -19.9 60.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.362 1.465 . . . . 0.0 113.235 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.85 -20.53 35.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.438 1.095 . . . . 0.0 112.712 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -104.29 -36.48 7.6 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 113.37 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.2 119.2 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.428 1.091 . . . . 0.0 110.18 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -75.67 -28.21 58.61 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -139.9 81.2 19.46 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.9 1.68 . . . . 0.0 109.564 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -81.72 138.55 10.66 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.465 2.776 . . . . 0.0 111.186 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.0 ttt -163.12 154.09 16.85 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -170.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -146.54 172.67 13.21 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.406 2.282 . . . . 0.0 110.573 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -57.48 -29.92 64.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.79 -40.86 96.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.083 0.553 . . . . 0.0 111.38 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 27.2 m -67.68 -39.21 84.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.713 1.205 . . . . 0.0 111.296 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.0 mtp -59.95 -51.82 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.217 0.462 . . . . 0.0 111.495 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -55.19 -46.18 75.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.604 1.162 . . . . 0.0 112.887 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -63.77 -46.13 86.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.095 0.958 . . . . 0.0 112.129 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.4 -40.61 97.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.271 0.628 . . . . 0.0 112.15 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.97 -41.13 82.86 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.007 -1.058 . . . . 0.0 111.863 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.2 -10.21 52.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.358 1.063 . . . . 0.0 113.52 173.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.47 7.44 37.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.721 1.608 . . . . 0.0 113.047 171.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 64.66 27.92 13.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.558 1.943 . . . . 0.0 113.647 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -74.57 -13.35 60.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.298 . . . . 0.0 113.68 -171.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -104.2 105.1 15.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.359 1.464 . . . . 0.0 111.522 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.63 -6.51 27.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.887 1.275 . . . . 0.0 113.479 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -150.64 157.94 43.57 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.746 1.218 . . . . 0.0 110.8 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -67.94 -22.55 65.04 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.18 -47.87 83.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.617 1.167 . . . . 0.0 112.467 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -74.66 -31.95 62.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.495 0.718 . . . . 0.0 112.291 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.52 -40.07 85.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.546 1.138 . . . . 0.0 111.79 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.37 -42.0 75.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.562 1.145 . . . . 0.0 111.491 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.65 -33.48 75.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.987 0.915 . . . . 0.0 113.311 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -73.56 -22.02 60.19 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.03 -43.45 62.03 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.087 -1.008 . . . . 0.0 109.588 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -58.56 -32.98 69.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.384 0.673 . . . . 0.0 111.989 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.86 -44.8 96.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.863 0.865 . . . . 0.0 111.934 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.05 -41.24 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.357 1.063 . . . . 0.0 111.305 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.61 -56.13 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.423 0.689 . . . . 0.0 110.483 172.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -65.76 -29.17 69.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.95 70.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.932 1.693 . . . . 0.0 111.562 170.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 47.8 t -80.47 -42.98 21.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.163 0.585 . . . . 0.0 111.678 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.87 -22.01 66.72 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.748 0.819 . . . . 0.0 112.073 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -78.74 -51.58 9.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.554 1.142 . . . . 0.0 112.993 169.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -103.66 63.0 0.77 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.394 1.077 . . . . 0.0 113.067 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.1 160.76 10.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.584 1.154 . . . . 0.0 112.721 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.7 172.97 11.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.015 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -89.15 7.04 37.24 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -138.39 30.95 2.37 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.858 1.663 . . . . 0.0 112.606 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 71.7 p -121.98 162.33 21.3 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.576 1.551 . . . . 0.0 112.691 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.16 -44.27 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.784 1.234 . . . . 0.0 112.233 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.453 ' HB3' HH32 ' A' ' 5' ' ' ALY . 48.2 m-85 -67.46 -42.01 83.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.046 0.939 . . . . 0.0 112.523 -169.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -59.16 -45.83 89.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.355 0.662 . . . . 0.0 111.125 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.83 0.852 . . . . 0.0 113.169 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.76 78.02 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.452 1.024 . . . . 0.0 112.13 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.66 76.11 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.603 -0.686 . . . . 0.0 112.597 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.19 -39.81 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.213 0.605 . . . . 0.0 110.918 170.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.35 -37.09 85.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.482 0.713 . . . . 0.0 112.168 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.06 -46.5 77.56 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.086 0.954 . . . . 0.0 111.973 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -58.08 -33.04 68.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.307 1.043 . . . . 0.0 113.144 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.15 -67.21 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.888 1.275 . . . . 0.0 111.536 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.39 -45.64 68.79 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -169.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.462 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.07 -13.76 78.5 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.645 0.657 . . . . 0.0 113.242 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.26 89.44 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 169.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.61 -40.76 84.69 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.665 0.786 . . . . 0.0 111.747 169.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.462 HG23 ' HA2' ' B' ' 140' ' ' GLY . 57.6 t -61.25 -38.27 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.22 1.008 . . . . 0.0 111.911 -176.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.69 -40.42 76.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.293 0.637 . . . . 0.0 111.459 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -72.47 -41.18 66.32 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -64.06 -34.19 77.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.624 0.77 . . . . 0.0 112.057 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.53 -27.4 20.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.939 0.896 . . . . 0.0 112.236 -170.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -58.58 -30.84 67.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.381 1.073 . . . . 0.0 111.563 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.38 -24.71 66.68 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.61 -19.79 60.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 112.746 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.56 -37.22 12.01 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.248 1.419 . . . . 0.0 112.822 171.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.09 -33.23 75.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.797 0.839 . . . . 0.0 112.948 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -23.58 67.36 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.2 mtt -66.0 -25.56 67.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.553 1.141 . . . . 0.0 112.613 173.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -105.26 16.21 45.8 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.5 2.0 . . . . 0.0 115.171 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 94.1 p -141.58 156.7 45.68 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.708 1.254 . . . . 0.0 113.521 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -96.55 -174.67 35.48 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.315 1.436 . . . . 0.0 113.922 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -72.39 163.13 39.55 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.251 3.301 . . . . 0.0 111.871 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 73.7 m -141.27 141.36 33.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.108 1.363 . . . . 0.0 111.345 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 40.6 m -136.5 19.28 3.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.647 1.179 . . . . 0.0 113.468 -170.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 C-N-CA 125.4 1.476 . . . . 0.0 112.586 -177.677 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.301 0.096 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.51 147.79 24.53 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.261 0.934 . . . . 0.0 112.649 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.83 141.51 8.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.85 1.66 . . . . 0.0 111.099 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.01 -23.85 11.08 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.524 1.059 . . . . 0.0 114.543 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.605 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.67 161.17 14.08 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.555 2.979 . . . . 0.0 112.02 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.86 -106.36 0.39 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 125.042 1.306 . . . . 0.0 111.192 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt 59.78 75.47 0.4 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.836 1.654 . . . . 0.0 113.006 172.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.83 113.96 4.6 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.216 0.912 . . . . 0.0 111.056 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.684 1.994 . . . . 0.0 110.527 -173.232 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t 71.57 -58.89 0.57 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.642 2.377 . . . . 0.0 113.449 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m 63.23 15.54 8.68 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.157 1.783 . . . . 0.0 114.757 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.0 -7.44 85.47 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 116.486 1.354 . . . . 0.0 116.486 -169.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 14.3 t -159.92 144.75 14.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.229 1.514 . . . . 0.0 111.968 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -168.02 104.29 0.47 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.512 1.525 . . . . 0.0 111.461 -172.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.47 -40.47 2.97 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.382 0.991 . . . . 0.0 113.114 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.55 -36.3 73.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.833 1.253 . . . . 0.0 112.654 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.35 -20.69 62.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.96 0.904 . . . . 0.0 113.129 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.8 -32.91 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.166 0.987 . . . . 0.0 110.601 171.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.25 -44.11 92.8 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.701 -0.624 . . . . 0.0 110.605 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.57 -45.54 65.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.56 0.344 . . . . 0.0 111.533 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -62.81 -28.77 70.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.35 -46.33 20.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.882 0.873 . . . . 0.0 112.38 171.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -62.42 -40.58 97.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.915 1.286 . . . . 0.0 111.862 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.77 -34.39 69.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -70.42 -28.18 64.85 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.251 0.62 . . . . 0.0 112.01 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -75.45 -30.11 59.87 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.671 0.788 . . . . 0.0 111.593 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.03 -27.41 67.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.998 0.817 . . . . 0.0 112.65 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.34 -22.61 59.15 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.034 0.833 . . . . 0.0 112.696 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.87 -18.83 62.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.977 0.808 . . . . 0.0 112.502 170.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.83 1.31 54.28 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.973 1.309 . . . . 0.0 113.572 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -123.03 79.2 1.63 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.362 1.865 . . . . 0.0 109.753 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.8 t -82.45 -6.23 59.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.87 1.268 . . . . 0.0 113.843 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.04 -12.42 61.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.515 1.531 . . . . 0.0 113.693 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 60.01 28.33 17.85 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.29 1.836 . . . . 0.0 112.978 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.8 mt -76.31 -30.94 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.907 1.683 . . . . 0.0 111.779 -174.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -113.94 -13.74 12.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.995 1.718 . . . . 0.0 112.755 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -60.87 -18.88 58.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.167 1.387 . . . . 0.0 113.861 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -133.83 158.11 76.24 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 112.082 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.75 152.1 74.23 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.624 3.549 . . . . 0.0 111.984 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -67.15 129.6 93.85 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 110.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.55 112.59 3.26 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.34 2.693 . . . . 0.0 110.819 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.11 -24.23 63.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.234 0.613 . . . . 0.0 112.307 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -62.46 -17.81 60.33 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.956 1.303 . . . . 0.0 113.931 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.65 4.47 10.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.211 1.405 . . . . 0.0 113.926 171.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 t -149.55 77.41 8.78 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.677 1.591 . . . . 0.0 108.964 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.28 -11.75 14.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.067 2.511 . . . . 0.0 113.365 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.94 2.85 49.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.38 1.072 . . . . 0.0 112.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.77 -40.99 73.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.539 1.135 . . . . 0.0 112.434 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.21 -21.66 58.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.086 1.354 . . . . 0.0 113.367 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -84.74 -24.25 28.92 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.514 1.125 . . . . 0.0 112.533 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -97.53 -37.74 9.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.405 1.082 . . . . 0.0 112.665 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.7 118.44 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.525 1.13 . . . . 0.0 109.971 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.41 -27.97 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.222 1.009 . . . . 0.0 113.616 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -137.96 83.81 22.56 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.261 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.37 123.66 7.26 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.989 1.793 . . . . 0.0 109.356 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.56 164.51 38.11 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -169.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -168.33 174.54 6.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.012 1.725 . . . . 0.0 112.69 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.87 -25.32 68.11 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -70.44 -37.77 74.41 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.907 1.23 . . . . 0.0 110.924 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.6 m -69.51 -36.51 76.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.362 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.04 -54.43 43.12 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.944 0.793 . . . . 0.0 110.155 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -56.17 -46.38 79.35 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 113.0 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.58 -44.66 89.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.839 0.856 . . . . 0.0 112.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -66.81 -30.52 70.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -77.38 -39.29 47.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.379 1.072 . . . . 0.0 112.183 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.94 -15.96 63.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.354 1.062 . . . . 0.0 112.992 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.01 -7.34 22.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.715 1.606 . . . . 0.0 113.461 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 71.92 51.84 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.176 2.191 . . . . 0.0 112.188 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -15.15 39.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.852 1.261 . . . . 0.0 114.211 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -83.38 -78.22 0.23 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.904 0.882 . . . . 0.0 113.369 -170.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 67.29 -0.68 1.73 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.03 2.532 . . . . 0.0 115.287 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -148.22 138.89 22.95 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 126.581 1.952 . . . . 0.0 108.896 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -66.71 -24.76 66.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.219 0.608 . . . . 0.0 111.529 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.53 -39.92 85.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.979 0.912 . . . . 0.0 112.068 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -75.51 -38.13 59.65 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.235 1.014 . . . . 0.0 112.167 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.28 -37.7 87.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 111.936 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.37 -40.86 66.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.937 1.295 . . . . 0.0 111.742 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.12 -32.55 70.63 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.065 -1.022 . . . . 0.0 113.693 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -74.49 -30.79 61.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.514 -0.741 . . . . 0.0 111.784 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.0 -43.56 98.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.849 -1.157 . . . . 0.0 111.01 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -58.4 -32.25 68.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.541 0.736 . . . . 0.0 112.457 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.3 -39.94 94.93 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.126 0.971 . . . . 0.0 112.323 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.9 mt -69.62 -39.48 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.844 1.257 . . . . 0.0 111.061 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.36 -52.35 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.287 0.635 . . . . 0.0 109.751 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -59.8 -34.14 72.65 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.598 1.159 . . . . 0.0 113.75 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -34.82 62.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.768 1.227 . . . . 0.0 113.164 174.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.6 t -79.51 -49.95 11.49 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.355 0.525 . . . . 0.0 110.784 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.47 -24.93 49.16 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.046 1.339 . . . . 0.0 112.657 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -91.74 -18.57 23.72 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.545 1.938 . . . . 0.0 114.445 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -136.02 75.45 1.55 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.561 1.544 . . . . 0.0 111.953 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -160.49 -167.88 2.0 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.392 1.477 . . . . 0.0 112.812 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -138.63 162.77 33.8 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.995 1.718 . . . . 0.0 110.196 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -68.35 2.22 2.44 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.81 9.45 3.07 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.156 1.382 . . . . 0.0 114.059 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.6 p -89.22 158.22 17.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.843 0.857 . . . . 0.0 112.628 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -61.33 -40.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.337 1.055 . . . . 0.0 111.637 169.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.605 ' HB3' HH32 ' A' ' 5' ' ' ALY . 30.9 m-85 -67.71 -36.8 81.28 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.709 1.204 . . . . 0.0 112.749 -172.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -56.59 -54.81 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.159 0.983 . . . . 0.0 110.979 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.79 -29.01 68.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.13 0.972 . . . . 0.0 112.96 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.25 86.92 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.414 1.006 . . . . 0.0 112.631 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.22 73.18 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.49 -0.756 . . . . 0.0 112.221 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.2 -37.73 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.309 0.644 . . . . 0.0 111.053 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -60.17 -44.77 94.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.884 0.874 . . . . 0.0 111.92 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.71 -45.65 93.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.914 0.886 . . . . 0.0 112.2 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -58.15 -31.0 66.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.898 0.879 . . . . 0.0 113.139 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.1 -64.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.823 1.249 . . . . 0.0 111.724 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.22 -40.51 71.07 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.441 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.75 -8.15 87.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.63 0.65 . . . . 0.0 113.07 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.13 94.32 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.338 1.069 . . . . 0.0 110.68 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.41 90.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.607 0.763 . . . . 0.0 112.055 170.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.441 HG23 ' HA2' ' B' ' 140' ' ' GLY . 46.5 t -63.21 -39.72 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.733 0.813 . . . . 0.0 111.182 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.4 -36.04 76.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.567 0.747 . . . . 0.0 111.478 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -68.33 -52.48 33.0 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.387 0.994 . . . . 0.0 113.445 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.86 -36.41 81.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.21 1.004 . . . . 0.0 111.708 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.84 -28.37 24.48 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.049 0.939 . . . . 0.0 111.787 -170.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.72 -32.42 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 111.623 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -64.96 -24.63 67.58 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.168 -0.957 . . . . 0.0 113.467 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -71.1 -23.82 62.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.98 0.912 . . . . 0.0 112.492 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -43.33 12.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 111.912 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -65.75 -34.34 77.96 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -27.4 69.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -103.93 -14.02 16.13 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.261 1.424 . . . . 0.0 113.569 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.55 14.76 64.7 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.434 1.968 . . . . 0.0 114.088 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 44.3 m -126.07 149.25 49.02 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.566 1.546 . . . . 0.0 111.569 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 72.93 -150.72 44.76 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 123.859 0.742 . . . . 0.0 112.48 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -82.92 0.74 9.5 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.168 3.245 . . . . 0.0 114.053 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 20.2 m 64.91 12.46 7.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.373 1.869 . . . . 0.0 114.291 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 18.1 t -72.75 129.4 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.738 -1.226 . . . . 0.0 112.29 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 125.36 1.457 . . . . 0.0 113.032 179.214 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.336 0.113 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.67 178.02 43.32 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.711 1.148 . . . . 0.0 113.9 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -130.48 127.7 39.73 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.589 1.556 . . . . 0.0 110.074 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 -33.22 11.37 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.578 1.085 . . . . 0.0 113.887 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.707 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.82 165.71 28.58 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.28 1.895 . . . . 0.0 113.113 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 135.55 25.19 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.905 0.764 . . . . 0.0 111.42 178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -97.6 13.38 30.31 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.84 121.84 24.53 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.341 0.972 . . . . 0.0 111.852 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.605 1.962 . . . . 0.0 110.295 -171.627 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -166.3 -40.94 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.285 1.434 . . . . 0.0 111.735 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.1 p -123.46 160.8 26.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.938 1.695 . . . . 0.0 111.446 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.82 170.75 40.03 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.249 0.928 . . . . 0.0 113.918 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.5 m -79.93 -8.6 59.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -111.89 -76.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.669 1.187 . . . . 0.0 112.147 -176.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.97 -63.95 1.59 Allowed Glycine 0 C--N 1.339 0.731 0 C-N-CA 126.871 2.177 . . . . 0.0 111.469 -173.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -58.32 -47.51 83.5 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.762 1.225 . . . . 0.0 112.362 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -23.15 67.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.37 1.068 . . . . 0.0 112.865 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mt -80.14 -37.89 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.02 1.328 . . . . 0.0 110.873 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.68 -42.49 75.24 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.718 0.807 . . . . 0.0 110.617 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.55 -32.95 72.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.955 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -59.55 -52.72 64.33 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.147 0.885 . . . . 0.0 110.372 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.71 -35.31 80.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.49 1.116 . . . . 0.0 113.03 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 m -72.92 -47.88 41.87 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.771 1.229 . . . . 0.0 111.072 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.92 -39.44 77.98 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.32 -22.14 64.72 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -82.88 -28.73 29.81 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.321 0.964 . . . . 0.0 112.236 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.59 -31.6 72.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.016 1.28 . . . . 0.0 111.466 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -69.71 -23.13 63.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.479 0.712 . . . . 0.0 112.768 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.26 -18.51 60.07 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.131 0.878 . . . . 0.0 112.575 172.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.02 6.76 38.19 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.028 1.331 . . . . 0.0 113.736 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -121.9 79.47 1.58 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.791 1.637 . . . . 0.0 109.929 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 70.5 p -83.25 -5.74 59.23 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.431 1.492 . . . . 0.0 114.197 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -12.7 58.1 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.138 1.828 . . . . 0.0 113.959 169.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.4 28.22 17.85 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 112.968 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -76.45 -28.94 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.75 1.62 . . . . 0.0 111.89 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -115.7 -17.18 11.16 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.107 1.763 . . . . 0.0 112.515 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -58.58 -23.77 59.37 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.173 1.389 . . . . 0.0 113.908 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -130.74 152.51 80.63 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.742 1.617 . . . . 0.0 111.656 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.88 146.35 71.56 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.657 3.572 . . . . 0.0 112.826 -174.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.4 124.07 84.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 0.0 109.979 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -75.13 118.03 5.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.24 2.627 . . . . 0.0 111.449 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.15 -17.38 62.55 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.68 0.792 . . . . 0.0 112.778 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -68.06 -27.35 66.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 112.581 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -94.44 -32.61 13.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.379 1.072 . . . . 0.0 112.046 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.8 t -132.87 80.09 61.78 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.024 1.33 . . . . 0.0 110.318 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.31 -14.49 16.41 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.345 2.697 . . . . 0.0 113.443 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.34 4.09 50.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.623 1.169 . . . . 0.0 113.007 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -55.39 -43.38 75.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.113 0.965 . . . . 0.0 112.203 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -76.09 -20.47 57.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.876 1.271 . . . . 0.0 113.432 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.8 -27.79 40.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.08 0.952 . . . . 0.0 112.474 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -94.03 -35.22 12.7 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.29 1.036 . . . . 0.0 113.024 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mm -101.52 113.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.774 1.23 . . . . 0.0 110.35 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.88 -24.66 61.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -149.25 77.94 8.82 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 126.214 1.806 . . . . 0.0 111.58 -174.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.26 152.02 30.42 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.277 3.318 . . . . 0.0 112.184 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -163.45 156.86 19.13 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.763 1.625 . . . . 0.0 112.499 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -151.7 170.55 19.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.815 2.446 . . . . 0.0 110.557 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.38 -23.25 66.71 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.17 -44.91 82.67 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.973 0.806 . . . . 0.0 110.984 172.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 32.5 m -65.34 -39.31 92.23 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.224 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 77.3 mmm -54.15 -54.51 38.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.929 0.892 . . . . 0.0 111.262 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -58.74 -43.47 90.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.733 0.813 . . . . 0.0 112.927 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.5 -44.31 94.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.035 0.834 . . . . 0.0 112.206 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.02 -37.71 85.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.426 0.69 . . . . 0.0 111.876 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.93 69.08 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.796 -1.19 . . . . 0.0 112.139 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.14 -11.94 60.03 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.554 1.142 . . . . 0.0 113.243 174.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 9.72 36.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.115 1.766 . . . . 0.0 113.05 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 63.34 23.77 13.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.101 1.76 . . . . 0.0 113.911 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.6 -24.0 65.44 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 112.952 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -91.84 103.0 15.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.797 1.239 . . . . 0.0 111.785 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.98 -11.98 21.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.301 1.441 . . . . 0.0 113.047 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.64 146.89 31.5 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.395 1.878 . . . . 0.0 110.137 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.6 -26.65 65.48 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.53 -43.84 80.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.64 1.176 . . . . 0.0 112.645 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -72.29 -36.85 69.05 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.686 0.794 . . . . 0.0 112.36 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.96 -36.13 81.51 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.014 0.926 . . . . 0.0 111.779 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.67 -41.69 59.83 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.709 1.204 . . . . 0.0 111.841 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -66.85 -33.55 75.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.074 -1.016 . . . . 0.0 113.055 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -74.31 -25.59 59.65 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.651 -0.655 . . . . 0.0 112.387 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.5 -43.22 70.13 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.95 -1.094 . . . . 0.0 110.296 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -58.12 -31.09 66.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.208 0.603 . . . . 0.0 112.158 172.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.2 -44.04 93.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.879 0.872 . . . . 0.0 111.877 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.26 -47.05 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.122 0.969 . . . . 0.0 110.848 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.17 -52.18 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.989 0.916 . . . . 0.0 110.53 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t -58.79 -45.07 90.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.592 0.757 . . . . 0.0 112.383 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.61 -24.53 67.08 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.193 -0.942 . . . . 0.0 113.471 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -72.42 -50.46 26.18 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.091 0.556 . . . . 0.0 110.987 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.92 -27.95 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 112.213 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -77.76 -13.54 59.86 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.861 1.664 . . . . 0.0 114.833 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -131.85 49.52 2.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.571 1.548 . . . . 0.0 112.649 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -152.07 154.2 35.46 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.041 1.336 . . . . 0.0 111.185 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.32 166.76 21.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.059 0.944 . . . . 0.0 111.342 170.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.52 4.45 3.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -140.79 16.18 2.32 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.644 1.578 . . . . 0.0 115.181 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.8 p -94.2 159.62 15.06 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.126 0.97 . . . . 0.0 112.382 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.72 -38.78 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.416 1.087 . . . . 0.0 112.198 171.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.707 ' HB3' HH32 ' A' ' 5' ' ' ALY . 25.2 m-85 -70.87 -33.8 70.97 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.971 0.909 . . . . 0.0 112.932 -172.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.78 -46.8 88.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.8 0.44 . . . . 0.0 110.663 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.89 -30.08 66.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.168 0.987 . . . . 0.0 113.264 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.21 74.45 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.366 0.985 . . . . 0.0 112.71 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.82 -33.78 64.3 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.24 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.339 0.656 . . . . 0.0 110.674 171.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -42.29 97.63 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.351 0.66 . . . . 0.0 111.735 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.01 -45.7 91.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.954 0.797 . . . . 0.0 112.432 171.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -58.02 -32.5 68.01 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.254 1.021 . . . . 0.0 113.116 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -85.69 -66.31 0.91 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.881 1.273 . . . . 0.0 111.633 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -70.04 -47.34 62.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.476 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.09 -14.24 77.46 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 118.501 0.591 . . . . 0.0 113.105 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.66 90.52 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-N 118.186 0.993 . . . . 0.0 110.832 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.86 88.33 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.601 0.76 . . . . 0.0 112.15 169.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.476 HG23 ' HA2' ' B' ' 140' ' ' GLY . 47.7 t -62.08 -34.41 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.273 1.029 . . . . 0.0 111.836 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 75.8 mt -74.29 -40.32 62.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.794 0.837 . . . . 0.0 111.565 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.51 -37.06 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.561 1.144 . . . . 0.0 113.26 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -73.12 -35.86 66.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.49 1.116 . . . . 0.0 112.42 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.41 25.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.559 0.744 . . . . 0.0 112.927 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -54.61 -35.04 62.97 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.523 1.529 . . . . 0.0 112.034 169.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -68.13 -22.32 64.88 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -73.1 -20.09 61.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.026 0.931 . . . . 0.0 112.641 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.4 -40.19 12.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.953 0.901 . . . . 0.0 112.449 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.56 -28.96 66.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -24.23 67.07 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 2.5 mtm -67.56 -22.32 65.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.24 1.016 . . . . 0.0 112.742 171.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.95 4.43 61.04 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 126.34 1.924 . . . . 0.0 115.109 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 74.5 m -63.86 144.32 57.15 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.493 1.147 . . . . 0.0 112.994 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -78.64 172.78 55.3 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.417 1.008 . . . . 0.0 113.753 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.22 157.46 53.73 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 124.09 3.194 . . . . 0.0 111.91 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 85.4 p -161.88 161.29 28.81 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.254 1.422 . . . . 0.0 112.034 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 71.2 m -144.08 129.88 19.31 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.834 1.253 . . . . 0.0 111.028 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.24 0 C-N-CA 125.085 1.326 . . . . 0.0 112.953 178.368 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.461 0.172 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.44 125.38 1.75 Allowed Glycine 0 N--CA 1.469 0.851 0 C-N-CA 124.377 0.989 . . . . 0.0 112.899 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -165.34 160.42 18.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.439 1.896 . . . . 0.0 111.117 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -32.81 8.35 Favored Glycine 0 N--CA 1.469 0.887 0 C-N-CA 124.31 0.957 . . . . 0.0 114.084 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.686 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.34 111.08 1.36 Allowed Glycine 0 N--CA 1.466 0.696 0 C-N-CA 128.491 2.948 . . . . 0.0 111.857 169.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.91 -131.91 40.0 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.823 1.202 . . . . 0.0 111.799 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 150.92 23.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.658 1.583 . . . . 0.0 112.247 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.17 -177.39 51.84 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.994 1.283 . . . . 0.0 113.916 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.527 1.531 . . . . 0.0 111.182 175.292 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -145.78 146.63 31.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 111.388 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -147.74 158.2 43.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.322 1.449 . . . . 0.0 111.464 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.39 -169.7 44.09 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.398 0.999 . . . . 0.0 113.112 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -74.34 157.61 35.44 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.433 0.693 . . . . 0.0 112.354 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 m -145.99 157.9 43.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.881 1.672 . . . . 0.0 110.969 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.32 92.24 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 112.856 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.67 -43.02 99.86 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.412 1.085 . . . . 0.0 112.614 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.03 -34.17 77.8 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.888 0.875 . . . . 0.0 111.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 56.0 mt -67.77 -32.47 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.188 0.995 . . . . 0.0 112.137 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.98 -41.29 78.1 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.242 0.928 . . . . 0.0 110.936 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.77 -36.08 75.45 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.904 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -58.33 -48.1 81.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.51 0.724 . . . . 0.0 110.925 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -74.26 -19.55 60.46 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -86.35 -42.31 13.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.497 1.119 . . . . 0.0 111.117 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.62 -41.66 77.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.9 -27.92 69.18 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.698 -0.626 . . . . 0.0 112.685 175.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -78.07 -13.84 59.72 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.727 0.811 . . . . 0.0 112.539 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.75 -38.21 17.14 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.701 1.137 . . . . 0.0 108.947 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -64.61 -33.63 76.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.899 0.879 . . . . 0.0 112.599 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.8 -17.43 64.63 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -85.15 -12.08 53.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.444 1.098 . . . . 0.0 112.67 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.09 79.87 2.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.872 1.669 . . . . 0.0 110.025 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -83.13 -6.81 59.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.086 1.354 . . . . 0.0 114.198 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.94 -11.54 61.48 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.024 1.773 . . . . 0.0 114.151 169.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 61.56 26.35 16.08 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.388 1.875 . . . . 0.0 113.151 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -32.51 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.164 1.786 . . . . 0.0 112.14 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -112.38 -15.69 13.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.949 1.7 . . . . 0.0 112.458 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -62.0 -22.62 65.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 113.86 170.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.28 152.16 79.71 Favored Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.632 1.573 . . . . 0.0 112.123 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.38 150.75 64.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.709 3.606 . . . . 0.0 112.764 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.89 123.41 83.6 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.216 1.007 . . . . 0.0 109.681 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.36 119.64 5.63 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.263 2.642 . . . . 0.0 111.292 -175.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.74 -16.76 62.22 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.5 m -68.61 -27.48 66.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.048 0.939 . . . . 0.0 112.684 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -94.73 -34.85 12.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.289 1.036 . . . . 0.0 112.039 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.44 81.99 66.51 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.165 1.386 . . . . 0.0 110.193 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.96 -13.03 17.63 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.199 2.599 . . . . 0.0 113.044 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -99.25 10.21 41.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.604 1.561 . . . . 0.0 113.218 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.18 -36.24 68.14 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.808 -1.182 . . . . 0.0 112.734 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.05 -20.09 56.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.558 1.543 . . . . 0.0 113.483 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.33 -30.95 54.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 112.092 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.6 -37.32 15.74 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.903 0.881 . . . . 0.0 112.477 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.8 mm -118.1 118.43 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.168 1.387 . . . . 0.0 111.081 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -76.36 -27.29 56.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 114.176 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 76.19 30.79 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 125.543 1.537 . . . . 0.0 112.111 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.41 145.86 60.51 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.249 2.632 . . . . 0.0 111.145 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -158.38 153.69 25.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 111.876 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -150.83 171.5 17.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 127.354 2.262 . . . . 0.0 110.237 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.18 -23.39 66.58 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -66.45 -44.82 81.75 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.717 0.69 . . . . 0.0 111.371 171.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -67.05 -38.77 86.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.276 1.031 . . . . 0.0 111.126 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mmm -54.47 -55.25 30.83 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.815 0.846 . . . . 0.0 111.045 170.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.49 -46.67 86.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.831 0.852 . . . . 0.0 112.941 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.25 -45.26 95.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.106 0.962 . . . . 0.0 111.777 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.593 0.757 . . . . 0.0 111.907 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.51 -43.6 76.46 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.017 0.927 . . . . 0.0 111.979 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.32 -12.27 61.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.09 7.18 46.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.783 1.633 . . . . 0.0 113.044 171.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 65.1 28.04 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.498 1.919 . . . . 0.0 113.728 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -68.61 -23.16 64.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.708 1.203 . . . . 0.0 113.379 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.32 100.93 11.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.805 1.242 . . . . 0.0 111.57 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.34 -4.79 44.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.305 1.442 . . . . 0.0 113.01 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -153.44 149.41 27.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.291 1.836 . . . . 0.0 109.97 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.48 -24.93 67.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.306 0.642 . . . . 0.0 111.995 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.12 -42.16 94.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.079 0.952 . . . . 0.0 112.73 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.05 -36.28 64.36 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.859 0.863 . . . . 0.0 112.212 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.74 -38.01 87.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.963 0.905 . . . . 0.0 111.594 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -45.51 67.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.956 1.302 . . . . 0.0 111.27 173.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.42 -35.82 82.06 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.12 -26.13 61.11 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.476 -0.765 . . . . 0.0 112.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.61 -41.21 72.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.043 -1.036 . . . . 0.0 110.447 169.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -58.98 -30.36 67.89 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.651 -0.656 . . . . 0.0 112.066 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 7.5 tp -62.77 -45.64 91.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.048 0.84 . . . . 0.0 111.593 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.27 -47.06 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.149 0.979 . . . . 0.0 110.773 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.21 -57.7 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.042 0.937 . . . . 0.0 110.677 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.3 m -65.46 -31.0 71.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.95 -32.6 74.19 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.255 -0.903 . . . . 0.0 112.538 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -74.01 -42.51 60.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.78 -0.575 . . . . 0.0 111.294 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.94 -29.22 62.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.653 1.181 . . . . 0.0 112.621 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.74 -28.79 66.09 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.602 1.161 . . . . 0.0 113.411 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -129.34 70.06 1.41 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.286 1.434 . . . . 0.0 111.15 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -161.92 154.93 20.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.533 1.533 . . . . 0.0 112.348 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.02 159.74 24.75 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.613 0.721 . . . . 0.0 109.968 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.38 6.24 2.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -169.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -148.81 24.98 0.95 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.762 1.225 . . . . 0.0 113.817 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 82.0 p -88.05 156.9 19.06 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.873 0.844 . . . . 0.0 112.072 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.05 -41.2 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.222 1.009 . . . . 0.0 111.166 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.686 ' HB3' HH32 ' A' ' 5' ' ' ALY . 37.2 m-85 -67.71 -40.77 84.28 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.819 1.247 . . . . 0.0 112.683 -172.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.21 -49.63 76.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.464 0.706 . . . . 0.0 110.867 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -70.57 -24.12 62.71 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.89 86.16 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.602 1.092 . . . . 0.0 111.674 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.36 74.7 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 112.607 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.85 -41.96 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.602 0.637 . . . . 0.0 110.715 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -67.72 -35.06 78.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.004 0.82 . . . . 0.0 112.703 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.79 -43.4 98.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.216 0.916 . . . . 0.0 111.851 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.76 -32.01 71.33 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.47 -66.13 0.93 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 111.457 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.35 -47.74 66.65 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.732 0.813 . . . . 0.0 112.607 -170.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.432 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -80.63 -10.08 85.64 Favored Glycine 0 CA--C 1.532 1.144 0 O-C-N 121.747 -0.595 . . . . 0.0 113.295 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.24 -35.38 90.29 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.56 0.744 . . . . 0.0 111.738 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.432 HG23 ' HA2' ' B' ' 140' ' ' GLY . 48.9 t -63.37 -41.24 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 111.543 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.09 -31.09 68.49 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.541 -0.725 . . . . 0.0 112.059 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -71.73 -51.02 24.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.851 0.86 . . . . 0.0 112.526 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.63 -34.65 78.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.271 1.028 . . . . 0.0 112.154 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.26 -23.6 23.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 112.874 -169.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -65.02 -28.61 69.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.389 1.076 . . . . 0.0 112.331 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.07 -27.42 68.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.117 0.967 . . . . 0.0 113.269 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -70.08 -24.45 63.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.386 1.074 . . . . 0.0 112.628 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.91 -43.72 12.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.494 1.118 . . . . 0.0 112.159 170.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -64.84 -31.33 72.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -22.18 66.96 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -112.13 -16.76 12.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.741 1.616 . . . . 0.0 113.998 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.58 -0.51 79.0 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.792 1.663 . . . . 0.0 113.999 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 10.5 t -157.06 145.59 19.67 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.372 1.469 . . . . 0.0 111.708 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -99.47 -169.23 30.22 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.505 1.526 . . . . 0.0 113.614 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.75 152.87 69.45 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 123.73 2.953 . . . . 0.0 111.117 174.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 15.1 t -74.22 -31.94 62.81 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.3 m 64.34 7.75 3.77 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.65 1.98 . . . . 0.0 115.484 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.524 1.535 . . . . 0.0 113.019 179.204 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 119.948 -0.073 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.65 107.75 0.58 Allowed Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.679 1.133 . . . . 0.0 113.22 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -150.72 165.47 33.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.263 2.225 . . . . 0.0 110.568 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.95 173.14 54.6 Favored Glycine 0 N--CA 1.476 1.346 0 C-N-CA 124.539 1.066 . . . . 0.0 112.768 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.06 107.62 0.26 Allowed Glycine 0 N--CA 1.468 0.816 0 C-N-CA 126.474 1.987 . . . . 0.0 111.731 173.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.14 -146.83 45.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.323 0.963 . . . . 0.0 112.242 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.76 160.94 31.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.492 1.517 . . . . 0.0 112.888 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.8 -124.58 2.97 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.558 1.551 . . . . 0.0 112.128 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.46 1.904 . . . . 0.0 112.534 -174.877 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 65.7 p -123.89 9.82 8.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.008 1.323 . . . . 0.0 113.842 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -70.01 146.28 51.16 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.889 -1.132 . . . . 0.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.84 -155.74 32.17 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.781 1.181 . . . . 0.0 112.584 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.7 p -81.32 137.04 35.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.084 0.953 . . . . 0.0 112.12 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -97.58 95.19 7.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.8 1.24 . . . . 0.0 112.21 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.58 -37.32 6.18 Favored Glycine 0 N--CA 1.472 1.083 0 C-N-CA 124.242 0.925 . . . . 0.0 113.215 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.12 -38.04 75.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.438 1.095 . . . . 0.0 112.643 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.14 -19.6 62.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.161 0.984 . . . . 0.0 113.223 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.22 -28.27 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.129 0.971 . . . . 0.0 110.997 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.42 -49.81 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.548 -0.72 . . . . 0.0 110.106 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.93 -43.38 92.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.892 0.477 . . . . 0.0 111.589 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.22 -33.19 75.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.97 -42.26 63.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.43 0.692 . . . . 0.0 112.351 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.5 m -65.38 -43.55 90.34 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.812 1.245 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.25 -39.36 72.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.934 0.894 . . . . 0.0 112.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -68.62 -24.44 64.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.403 0.681 . . . . 0.0 112.499 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.65 -23.2 34.35 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.403 -0.811 . . . . 0.0 113.035 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.08 -26.76 64.14 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.08 1.309 . . . . 0.0 111.331 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.55 -19.87 62.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.645 -0.659 . . . . 0.0 112.498 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.71 -1.2 37.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.487 1.115 . . . . 0.0 112.753 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -106.79 -26.16 11.4 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.23 1.412 . . . . 0.0 112.618 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -92.1 81.91 5.06 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.093 1.357 . . . . 0.0 109.469 169.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.4 t -84.26 -5.38 59.25 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.785 1.234 . . . . 0.0 113.796 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.75 -11.89 61.38 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.562 1.553 . . . . 0.0 113.734 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 60.82 26.38 16.22 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.335 1.854 . . . . 0.0 113.12 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -75.88 -31.34 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.687 1.595 . . . . 0.0 112.249 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.77 -17.91 12.43 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.626 1.571 . . . . 0.0 112.347 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -59.74 -22.39 62.0 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -135.06 149.12 69.4 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 125.881 1.673 . . . . 0.0 112.646 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -66.82 150.73 83.23 Favored 'Trans proline' 0 CA--C 1.537 0.65 1 C-N-CA 125.463 4.108 . . . . 0.0 112.817 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.69 128.05 93.52 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.246 1.018 . . . . 0.0 110.446 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.0 115.12 4.19 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.341 2.694 . . . . 0.0 110.63 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.83 -22.91 63.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.27 -18.08 56.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 113.939 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.3 9.0 9.71 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.213 1.405 . . . . 0.0 113.375 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -149.65 77.98 8.5 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.275 1.83 . . . . 0.0 109.16 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.24 -12.08 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.166 2.577 . . . . 0.0 113.13 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -100.55 10.12 41.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.415 1.486 . . . . 0.0 113.288 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.2 -39.44 72.45 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.909 -1.12 . . . . 0.0 112.576 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.5 mt -78.3 -20.55 51.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.092 1.357 . . . . 0.0 113.29 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.23 -27.95 38.65 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -97.84 -24.2 15.53 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -119.34 119.89 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.768 1.227 . . . . 0.0 110.884 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.18 -29.09 42.75 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -130.45 78.27 74.51 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 126.392 1.877 . . . . 0.0 110.668 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.36 131.69 10.79 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.847 2.365 . . . . 0.0 110.325 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.8 ttt -157.45 163.97 37.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.886 0.874 . . . . 0.0 112.78 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -153.41 162.99 40.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.728 1.611 . . . . 0.0 112.339 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -54.89 -32.04 60.53 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.382 1.073 . . . . 0.0 113.228 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -64.9 -38.28 90.44 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.865 0.757 . . . . 0.0 111.776 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 15.5 m -68.04 -38.58 82.66 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.954 0.902 . . . . 0.0 111.094 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.3 mtp -58.53 -52.16 66.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.961 0.504 . . . . 0.0 111.127 170.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -56.67 -47.58 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.78 1.232 . . . . 0.0 112.636 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.16 -46.07 88.91 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.171 0.988 . . . . 0.0 112.011 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.79 -36.05 82.44 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.31 -40.39 70.85 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.144 -0.972 . . . . 0.0 111.592 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.54 -13.57 62.17 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.132 0.973 . . . . 0.0 113.297 171.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.74 4.31 47.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.875 1.67 . . . . 0.0 113.007 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 64.55 27.05 13.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.572 1.949 . . . . 0.0 113.817 175.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -67.9 -18.98 64.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -104.54 103.26 12.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.782 1.233 . . . . 0.0 111.839 -174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.26 -6.09 28.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.417 1.487 . . . . 0.0 112.924 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -142.28 144.46 33.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.157 1.783 . . . . 0.0 109.755 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.04 -26.88 67.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.21 0.604 . . . . 0.0 112.491 -173.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.04 -40.72 90.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.7 1.2 . . . . 0.0 113.184 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.82 -20.84 48.71 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.143 -0.973 . . . . 0.0 112.732 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -83.66 -11.2 57.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.744 1.618 . . . . 0.0 112.664 170.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.85 -42.06 8.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.224 1.41 . . . . 0.0 111.075 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.22 -30.16 71.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.007 1.323 . . . . 0.0 114.49 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -80.46 -28.04 37.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.226 1.01 . . . . 0.0 113.508 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.04 -42.91 84.02 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.463 169.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -56.52 -35.63 68.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.632 0.773 . . . . 0.0 112.152 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -41.97 98.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.055 0.843 . . . . 0.0 112.087 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.42 -40.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.72 1.208 . . . . 0.0 111.415 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.9 -54.12 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.374 0.67 . . . . 0.0 110.075 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -30.82 71.85 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -52.82 -34.04 52.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.652 1.181 . . . . 0.0 112.575 171.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 6.2 t -82.57 -40.42 20.94 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.958 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.78 -20.35 64.34 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.922 0.889 . . . . 0.0 112.19 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -82.9 -29.02 29.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.514 1.525 . . . . 0.0 115.031 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -137.91 16.95 2.85 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.33 135.84 48.49 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.097 -1.627 . . . . 0.0 110.799 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.72 158.04 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.106 0.955 . . . . 0.0 113.05 -170.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -71.5 10.46 0.63 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.32 18.33 1.72 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.667 1.587 . . . . 0.0 113.06 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 45.7 p -109.71 159.75 16.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.9 1.28 . . . . 0.0 111.599 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.22 -43.34 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.339 1.056 . . . . 0.0 112.174 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -66.33 -47.41 73.57 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.167 0.987 . . . . 0.0 111.988 -171.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.59 -43.38 84.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 111.781 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.43 61.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.98 -31.69 72.07 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.692 -1.255 . . . . 0.0 112.888 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.19 -33.69 70.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.215 -0.928 . . . . 0.0 112.697 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.53 -37.98 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.512 0.725 . . . . 0.0 110.452 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.69 -44.32 96.67 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.66 0.664 . . . . 0.0 111.701 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.55 -45.33 94.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.752 0.821 . . . . 0.0 112.508 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.26 -31.74 70.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.236 1.015 . . . . 0.0 113.191 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -87.68 -66.0 0.96 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.003 1.321 . . . . 0.0 111.57 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -71.17 -49.74 40.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.638 0.775 . . . . 0.0 112.255 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.464 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -77.51 -12.37 84.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.692 -0.63 . . . . 0.0 113.283 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.04 82.11 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 169.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.45 72.46 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.104 0.952 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.464 HG23 ' HA2' ' B' ' 140' ' ' GLY . 60.8 t -63.55 -34.96 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.054 0.942 . . . . 0.0 112.164 -174.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 76.7 mt -73.69 -38.78 64.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.534 0.733 . . . . 0.0 111.283 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -68.18 -43.67 77.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.753 1.221 . . . . 0.0 113.422 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -66.71 -34.5 77.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.211 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.11 -25.73 20.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.915 0.886 . . . . 0.0 112.937 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -57.15 -29.19 63.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.891 1.276 . . . . 0.0 111.984 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.22 -29.07 65.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.839 1.256 . . . . 0.0 113.18 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.04 -21.24 59.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.742 1.217 . . . . 0.0 112.812 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.29 -40.62 12.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.741 1.217 . . . . 0.0 111.995 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.03 -33.83 76.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -27.12 69.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -101.38 -13.45 17.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.05 1.34 . . . . 0.0 114.227 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.08 -11.55 75.95 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.889 1.233 . . . . 0.0 113.053 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 16.9 t -74.28 151.89 39.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.199 1.4 . . . . 0.0 112.642 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -157.07 177.68 33.83 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.111 1.339 . . . . 0.0 114.079 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.23 168.68 24.23 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.354 3.369 . . . . 0.0 112.293 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 91.8 p -159.28 173.89 15.62 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.705 1.602 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 22.9 t -153.89 131.43 11.39 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.749 -1.219 . . . . 0.0 111.336 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 125.551 1.548 . . . . 0.0 112.717 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.919 -0.03 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.32 28.84 0.09 OUTLIER Glycine 0 CA--C 1.535 1.288 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.5 ptt85 -74.49 178.15 5.5 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.597 1.159 . . . . 0.0 113.199 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 159.19 53.73 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.024 0.821 . . . . 0.0 112.755 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.444 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.11 88.75 0.07 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 125.432 1.492 . . . . 0.0 113.303 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.97 129.29 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.566 1.079 . . . . 0.0 111.563 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.85 142.45 28.88 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.219 1.008 . . . . 0.0 112.096 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.23 175.42 52.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.883 1.23 . . . . 0.0 113.705 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.873 1.669 . . . . 0.0 111.815 -174.142 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.0 m -148.06 -51.72 0.18 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.629 1.172 . . . . 0.0 112.345 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 m 65.65 16.2 10.39 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.733 1.613 . . . . 0.0 114.627 171.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.88 -123.13 2.13 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.911 1.72 . . . . 0.0 112.182 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -69.67 -12.7 61.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -90.42 94.0 9.55 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.536 1.535 . . . . 0.0 111.763 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.32 -38.14 4.36 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.734 1.159 . . . . 0.0 113.323 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.4 -37.99 73.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.612 1.165 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -72.81 -16.73 61.61 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.114 0.966 . . . . 0.0 113.491 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -76.85 -31.55 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.643 1.177 . . . . 0.0 110.76 171.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.92 -48.33 80.9 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.81 -46.53 71.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.103 0.561 . . . . 0.0 111.8 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -63.25 -35.04 79.01 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.58 -38.94 62.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.591 0.757 . . . . 0.0 112.276 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -65.88 -46.93 76.56 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.027 1.331 . . . . 0.0 111.242 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.64 -40.68 79.79 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.702 0.801 . . . . 0.0 112.574 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.68 -25.46 65.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.217 0.607 . . . . 0.0 112.614 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -78.05 -33.06 51.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.387 0.994 . . . . 0.0 111.84 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.08 -33.69 74.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.77 1.168 . . . . 0.0 111.497 169.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.54 -19.66 62.88 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -82.17 -19.28 40.22 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.044 0.838 . . . . 0.0 113.03 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -78.91 -16.18 57.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -97.59 80.45 2.83 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.551 1.14 . . . . 0.0 110.52 172.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 62.7 p -84.38 -5.81 59.32 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.853 1.261 . . . . 0.0 114.23 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.04 -12.55 60.1 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.952 1.739 . . . . 0.0 113.976 170.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 60.99 27.51 17.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.345 1.858 . . . . 0.0 113.108 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -77.24 -29.97 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.755 1.622 . . . . 0.0 112.032 -173.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -117.15 -13.86 10.52 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.049 1.74 . . . . 0.0 112.817 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -58.36 -23.05 55.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.569 1.548 . . . . 0.0 113.929 170.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -132.59 155.81 80.8 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 126.076 1.75 . . . . 0.0 111.608 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.81 151.41 78.59 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.464 3.442 . . . . 0.0 111.551 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.78 126.01 87.66 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.89 0.876 . . . . 0.0 109.866 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 117.2 4.91 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.39 2.727 . . . . 0.0 111.054 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.59 -23.9 63.6 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -61.02 -18.08 55.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.068 1.347 . . . . 0.0 113.954 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.93 8.52 9.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.115 1.366 . . . . 0.0 113.584 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.93 81.69 8.2 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.115 1.766 . . . . 0.0 109.25 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.2 -7.26 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.208 2.605 . . . . 0.0 113.079 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -108.75 12.88 25.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.805 1.642 . . . . 0.0 113.126 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -56.11 -45.08 79.62 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.871 -1.143 . . . . 0.0 112.256 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.86 -19.1 41.67 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.733 1.213 . . . . 0.0 113.265 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.43 -23.37 53.94 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.348 1.059 . . . . 0.0 112.344 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -98.57 -40.2 8.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.037 0.935 . . . . 0.0 113.413 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.412 HD13 ' HE3' ' B' ' 121' ' ' LYS . 30.9 mm -105.51 114.78 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.754 1.161 . . . . 0.0 111.071 -175.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -78.79 -27.23 44.45 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -137.92 77.19 38.45 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.436 1.494 . . . . 0.0 110.335 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.56 153.35 30.41 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.152 3.234 . . . . 0.0 112.329 -172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttm -166.0 165.2 18.14 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.005 1.722 . . . . 0.0 112.198 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -164.98 168.03 17.88 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.367 2.667 . . . . 0.0 110.215 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.06 -29.86 70.78 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -72.41 -38.45 68.4 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.251 0.932 . . . . 0.0 111.016 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 41.3 m -59.98 -46.36 89.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 76.6 mtp -58.95 -46.64 87.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.058 0.845 . . . . 0.0 112.013 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.38 -42.29 86.72 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.679 0.792 . . . . 0.0 112.958 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.78 -44.01 94.63 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.76 0.824 . . . . 0.0 111.895 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.43 -35.75 78.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.304 0.642 . . . . 0.0 112.183 172.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.36 -42.95 61.61 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.585 -1.322 . . . . 0.0 112.136 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.33 -10.96 60.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.953 0.901 . . . . 0.0 113.285 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.61 8.51 41.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.092 1.757 . . . . 0.0 112.947 171.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 62.58 24.85 14.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.074 1.749 . . . . 0.0 113.778 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -67.91 -24.66 65.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.303 1.041 . . . . 0.0 112.98 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -90.89 106.94 18.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 111.845 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.38 -8.35 19.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.446 1.499 . . . . 0.0 112.865 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -143.42 141.37 30.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.678 1.991 . . . . 0.0 109.803 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -66.57 -26.36 67.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 122.889 0.476 . . . . 0.0 111.759 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.04 -45.75 79.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.67 -33.22 62.44 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.07 0.948 . . . . 0.0 112.274 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.3 -38.19 81.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.645 1.178 . . . . 0.0 111.927 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.45 -41.77 69.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.755 1.222 . . . . 0.0 111.629 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.954 -1.091 . . . . 0.0 112.94 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.68 -26.6 60.81 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.547 -0.72 . . . . 0.0 112.654 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -70.1 -43.56 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -57.62 -34.62 69.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.182 0.593 . . . . 0.0 111.889 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.16 -45.09 94.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.046 0.839 . . . . 0.0 111.923 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 99.1 mt -59.28 -47.25 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.897 0.879 . . . . 0.0 110.947 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.77 -52.99 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.168 0.987 . . . . 0.0 110.588 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 71.9 m -62.0 -34.79 76.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.87 -19.52 65.75 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.163 -0.96 . . . . 0.0 113.244 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.57 -56.37 4.59 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.61 -26.05 63.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.158 1.783 . . . . 0.0 113.624 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.412 ' HE3' HD13 ' B' ' 84' ' ' ILE . 7.9 ttpp -85.3 -11.79 53.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -142.97 60.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.522 1.929 . . . . 0.0 112.491 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -156.19 -173.36 4.47 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.917 1.287 . . . . 0.0 112.632 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.69 152.95 41.5 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.081 1.352 . . . . 0.0 110.376 170.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -74.08 8.98 1.76 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -169.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -120.62 -4.74 9.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.797 1.639 . . . . 0.0 113.677 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 31.1 p -84.9 161.26 19.92 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.089 0.956 . . . . 0.0 112.309 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.6 tt -60.98 -40.95 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.639 0.776 . . . . 0.0 111.551 169.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.444 ' HB3' HH32 ' A' ' 5' ' ' ALY . 35.6 m-85 -68.68 -35.06 76.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.778 1.231 . . . . 0.0 112.493 -173.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -60.15 -52.95 63.16 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.787 0.835 . . . . 0.0 111.308 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -67.69 -30.45 69.98 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.7 89.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.223 0.92 . . . . 0.0 112.472 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.75 78.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.435 0.694 . . . . 0.0 112.449 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.89 -43.18 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -67.69 -32.01 72.37 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.683 0.793 . . . . 0.0 112.691 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.21 -44.04 80.57 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.738 . . . . 0.0 111.475 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -60.35 -28.27 68.03 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -83.82 -69.36 0.64 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.999 1.319 . . . . 0.0 111.539 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.83 -41.55 71.36 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.558 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -80.79 -18.61 69.84 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-N 118.779 0.718 . . . . 0.0 112.872 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.22 -34.45 89.96 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 117.977 0.889 . . . . 0.0 111.03 170.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.22 95.17 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.783 0.792 . . . . 0.0 112.176 169.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.558 HG23 ' HA2' ' B' ' 140' ' ' GLY . 18.6 t -60.61 -38.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.78 0.832 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.09 -35.19 69.14 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.811 -0.556 . . . . 0.0 111.705 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -44.79 73.72 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 112.801 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -67.96 -23.95 65.11 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.46 1.104 . . . . 0.0 113.094 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.86 -30.75 12.96 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.768 0.827 . . . . 0.0 112.634 -173.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.65 -42.91 89.43 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.724 1.21 . . . . 0.0 112.237 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -58.05 -22.03 48.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -75.93 -20.93 57.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.47 1.108 . . . . 0.0 112.441 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.71 -43.07 10.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.226 1.41 . . . . 0.0 111.74 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.42 -28.63 69.39 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -22.04 66.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -112.62 -13.68 13.26 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.892 1.677 . . . . 0.0 114.212 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -87.95 -5.83 76.68 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.42 1.486 . . . . 0.0 114.061 171.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 64.0 p -73.75 160.62 31.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.429 1.491 . . . . 0.0 113.849 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 159.01 -177.18 35.69 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.581 1.562 . . . . 0.0 113.173 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.88 120.63 6.76 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.609 2.872 . . . . 0.0 110.194 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 87.1 p -169.18 169.29 9.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.468 1.507 . . . . 0.0 112.122 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 34.9 m -67.66 138.79 56.62 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.958 -1.088 . . . . 0.0 112.756 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.294 0 C-N-CA 124.99 1.281 . . . . 0.0 113.752 177.822 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.792 0.329 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.81 14.16 65.6 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 124.509 1.052 . . . . 0.0 115.366 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -87.89 13.01 11.69 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.625 1.57 . . . . 0.0 113.807 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -172.83 52.41 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 124.786 1.184 . . . . 0.0 111.613 -169.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.734 HH33 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.54 161.21 30.78 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 126.773 2.13 . . . . 0.0 111.509 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 111.56 3.29 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.814 0.721 . . . . 0.0 111.753 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -79.43 161.42 26.13 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.756 1.222 . . . . 0.0 112.325 175.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.58 156.92 53.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.494 1.045 . . . . 0.0 112.867 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.255 1.367 0 C-N-CA 125.15 1.38 . . . . 0.0 112.881 -176.865 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.422 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -149.29 24.56 0.91 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.228 1.011 . . . . 0.0 112.511 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -69.18 140.31 54.63 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.41 -1.431 . . . . 0.0 112.444 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.19 167.36 41.43 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.297 0.951 . . . . 0.0 113.228 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.3 m -69.07 162.98 25.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.311 1.044 . . . . 0.0 112.539 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -154.82 156.41 36.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.402 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.64 -32.45 83.47 Favored Glycine 0 N--CA 1.47 0.94 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.874 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.69 -40.71 92.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.755 1.222 . . . . 0.0 112.498 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.46 -30.97 69.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.194 0.998 . . . . 0.0 111.786 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.3 -32.98 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.02 0.928 . . . . 0.0 111.533 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.05 -39.9 96.12 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.668 1.122 . . . . 0.0 110.888 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.05 -44.35 72.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.917 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.61 -31.28 72.23 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.409 0.549 . . . . 0.0 112.359 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -70.1 -37.49 75.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.517 1.127 . . . . 0.0 112.526 172.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.9 m -79.75 -44.38 20.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.532 1.533 . . . . 0.0 111.677 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.81 -39.43 77.55 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.77 0.828 . . . . 0.0 112.477 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.99 -12.85 60.43 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.89 -27.66 23.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.345 1.058 . . . . 0.0 111.911 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -30.43 69.6 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.886 1.221 . . . . 0.0 111.6 169.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -70.46 -20.37 62.89 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.69 -15.2 61.7 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.921 0.782 . . . . 0.0 112.595 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -90.81 6.75 43.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.494 1.518 . . . . 0.0 113.266 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -133.71 75.27 1.59 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.702 1.601 . . . . 0.0 110.853 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 75.8 p -81.38 -7.82 59.64 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.817 1.647 . . . . 0.0 114.238 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.57 -11.04 62.77 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.981 1.753 . . . . 0.0 114.348 169.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 56.82 33.67 23.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.128 1.771 . . . . 0.0 113.323 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 53.7 mt -77.0 -26.07 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.494 1.518 . . . . 0.0 111.736 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.89 -12.99 9.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.348 1.859 . . . . 0.0 112.877 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.3 m -53.43 -27.97 27.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.78 1.632 . . . . 0.0 113.807 169.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -138.25 158.85 70.12 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.622 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.79 153.7 77.02 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 124.445 3.43 . . . . 0.0 111.951 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -62.24 127.24 89.34 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 123.938 0.895 . . . . 0.0 110.019 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.34 114.4 3.62 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.389 2.726 . . . . 0.0 110.867 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.9 -25.67 64.72 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.146 0.578 . . . . 0.0 112.28 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -61.14 -17.94 55.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.285 1.434 . . . . 0.0 113.933 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -123.61 6.0 8.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.151 1.381 . . . . 0.0 113.679 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 t -148.84 76.24 9.74 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.006 1.722 . . . . 0.0 109.664 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.58 -11.24 20.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.084 2.523 . . . . 0.0 113.445 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -103.5 7.43 37.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.331 1.452 . . . . 0.0 113.072 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -57.49 -49.01 77.68 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.036 -1.04 . . . . 0.0 112.107 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.41 -18.66 60.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.833 1.253 . . . . 0.0 113.231 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.06 -16.1 59.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.309 1.043 . . . . 0.0 112.774 173.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.32 -32.07 6.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.983 1.313 . . . . 0.0 113.572 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 mm -99.74 110.8 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.911 1.284 . . . . 0.0 110.081 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -30.57 48.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 0.0 113.12 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -132.51 70.52 79.54 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.022 1.729 . . . . 0.0 111.939 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.57 144.26 39.75 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.259 2.64 . . . . 0.0 111.609 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.402 ' HG3' HD23 ' B' ' 114' ' ' LEU . 69.9 mmm -152.05 168.16 26.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.76 2.024 . . . . 0.0 111.728 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -166.77 164.74 16.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.269 2.228 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.25 -27.43 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.86 -41.44 82.9 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.059 0.845 . . . . 0.0 111.365 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -64.94 -42.61 94.51 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.237 1.015 . . . . 0.0 110.919 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.5 mmm -57.36 -49.27 76.7 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.129 0.422 . . . . 0.0 110.788 173.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.43 -44.4 89.11 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.522 -0.736 . . . . 0.0 112.81 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.75 -43.03 90.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.102 0.961 . . . . 0.0 112.215 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.85 -35.76 77.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.778 0.831 . . . . 0.0 111.8 172.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.37 -42.01 62.71 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.76 -1.213 . . . . 0.0 111.84 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.53 -19.17 63.37 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.604 1.161 . . . . 0.0 112.815 172.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.33 6.55 40.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.325 1.85 . . . . 0.0 113.25 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 62.78 26.87 15.82 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.938 1.695 . . . . 0.0 113.835 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -66.86 -25.78 66.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.996 0.918 . . . . 0.0 112.853 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -89.88 109.61 20.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.681 1.193 . . . . 0.0 111.411 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.09 -10.62 16.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.147 1.379 . . . . 0.0 113.154 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.53 148.13 32.87 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.402 1.881 . . . . 0.0 109.852 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -66.48 -28.32 68.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.029 0.531 . . . . 0.0 112.087 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.45 -44.06 93.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.924 1.289 . . . . 0.0 112.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -72.2 -35.19 68.87 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.947 0.794 . . . . 0.0 112.241 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -67.12 -37.04 83.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.397 1.079 . . . . 0.0 111.759 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.67 -37.72 65.18 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 111.95 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.2 -34.68 71.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.782 -1.199 . . . . 0.0 113.557 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -69.44 -29.18 66.83 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.543 -0.723 . . . . 0.0 112.14 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -66.34 -44.46 83.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.303 -0.873 . . . . 0.0 111.185 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -59.07 -36.5 75.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.691 -0.631 . . . . 0.0 111.994 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' B' ' 88' ' ' MET . 4.2 tp -63.58 -44.01 95.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.038 0.935 . . . . 0.0 111.613 174.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.02 -44.68 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.268 1.027 . . . . 0.0 111.643 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 66.0 t -57.75 -51.98 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.596 0.758 . . . . 0.0 110.651 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 t -59.84 -36.49 76.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.099 0.96 . . . . 0.0 113.365 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.57 -21.59 66.14 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.933 -1.104 . . . . 0.0 113.7 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.33 -52.52 9.04 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.723 0.692 . . . . 0.0 110.278 170.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.97 -24.75 67.2 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.102 1.361 . . . . 0.0 112.895 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -79.64 -18.3 51.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.715 . . . . 0.0 113.887 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -146.11 83.08 1.62 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.671 1.188 . . . . 0.0 112.802 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -169.71 -179.91 3.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.402 2.281 . . . . 0.0 111.092 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.63 154.98 18.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.59 1.156 . . . . 0.0 111.04 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -70.13 2.46 3.64 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 -169.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -138.61 14.0 2.74 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.969 1.308 . . . . 0.0 114.216 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.3 p -87.01 161.38 18.22 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.19 -0.944 . . . . 0.0 113.315 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 13.8 tt -59.52 -35.84 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.168 0.987 . . . . 0.0 111.216 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.734 ' HB3' HH33 ' A' ' 5' ' ' ALY . 21.3 m-85 -72.92 -36.8 67.32 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 125.129 1.372 . . . . 0.0 112.966 -174.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.74 -51.11 71.18 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.236 0.541 . . . . 0.0 109.674 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.03 -31.68 73.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.26 1.024 . . . . 0.0 112.961 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.34 94.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.494 1.043 . . . . 0.0 112.215 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.63 75.04 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.484 0.713 . . . . 0.0 112.079 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.3 -39.61 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.141 0.576 . . . . 0.0 111.018 171.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -65.76 -39.48 91.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.734 0.813 . . . . 0.0 112.109 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.68 -49.22 77.22 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.86 0.754 . . . . 0.0 111.542 170.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.9 -30.32 67.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.082 0.953 . . . . 0.0 113.484 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.07 -66.87 0.88 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.962 1.305 . . . . 0.0 111.826 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -76.29 -28.79 57.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -89.96 -17.36 54.07 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 119.158 0.89 . . . . 0.0 112.581 169.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.4 -35.93 92.39 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-N 118.349 1.075 . . . . 0.0 110.627 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.0 93.69 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.099 0.96 . . . . 0.0 112.419 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.534 HG23 ' HA2' ' B' ' 140' ' ' GLY . 25.9 t -63.2 -37.81 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.667 1.187 . . . . 0.0 110.998 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.22 -33.12 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.982 0.913 . . . . 0.0 111.573 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -67.96 -52.88 30.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.401 1.08 . . . . 0.0 112.827 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.5 -33.68 72.97 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.11 0.964 . . . . 0.0 112.513 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.46 -25.41 23.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 0.0 113.001 -169.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -59.73 -32.53 70.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.503 1.121 . . . . 0.0 111.955 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.34 -30.01 69.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.301 1.04 . . . . 0.0 113.208 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.5 -19.89 60.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.857 1.263 . . . . 0.0 112.614 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.11 -43.6 10.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 111.933 170.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.85 -30.04 71.02 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.853 0.861 . . . . 0.0 113.309 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -23.65 67.14 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -111.28 -14.49 13.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.434 1.494 . . . . 0.0 114.209 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.07 -7.15 70.64 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.268 1.414 . . . . 0.0 113.758 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 5.8 t 75.0 145.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.714 2.805 . . . . 0.0 113.312 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -164.37 -176.03 35.76 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.866 1.222 . . . . 0.0 114.352 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.03 163.98 34.22 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 124.32 3.347 . . . . 0.0 112.159 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 75.6 m -143.7 140.82 30.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.061 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 21.4 t -163.82 145.51 9.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.157 1.383 . . . . 0.0 110.997 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 C-N-CA 125.07 1.319 . . . . 0.0 113.041 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.857 0.361 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.17 -57.33 0.23 Allowed Glycine 0 N--CA 1.474 1.186 0 C-N-CA 124.281 0.943 . . . . 0.0 113.74 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 58.76 51.35 7.69 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.873 1.669 . . . . 0.0 112.604 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.68 173.29 48.92 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 125.129 1.347 . . . . 0.0 113.657 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.98 165.53 36.18 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.281 1.896 . . . . 0.0 113.33 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.99 -156.87 28.37 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.009 1.29 . . . . 0.0 113.056 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt 59.1 53.36 5.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.634 1.573 . . . . 0.0 113.131 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.03 -5.6 80.75 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.129 1.347 . . . . 0.0 115.063 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.274 1.829 . . . . 0.0 111.641 175.543 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.0 t -80.36 -43.46 21.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.905 0.853 . . . . 0.0 112.503 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.7 m 66.11 172.74 0.23 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.91 2.084 . . . . 0.0 115.089 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -142.15 12.15 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.366 1.46 . . . . 0.0 111.831 171.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 148.84 43.03 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.292 1.037 . . . . 0.0 112.593 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.9 p -133.31 96.74 3.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.467 1.107 . . . . 0.0 112.29 -171.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.44 -35.73 4.85 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 124.778 1.18 . . . . 0.0 113.24 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.0 -38.04 75.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 112.514 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.03 -15.53 61.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.545 1.138 . . . . 0.0 113.531 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 68.6 mt -78.9 -31.22 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.716 1.206 . . . . 0.0 110.696 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.93 -46.69 86.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.406 -0.809 . . . . 0.0 110.42 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.71 -45.8 74.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.723 0.409 . . . . 0.0 111.633 -172.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -64.15 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.394 0.543 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.2 -22.19 42.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.584 1.154 . . . . 0.0 113.091 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.1 m -82.39 -44.84 15.62 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.822 1.249 . . . . 0.0 111.077 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.53 -37.96 68.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 113.42 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.46 -21.22 59.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -80.26 -26.51 38.96 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.311 -0.868 . . . . 0.0 111.94 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -28.22 69.36 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.224 0.92 . . . . 0.0 111.9 170.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.89 -22.5 59.7 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.73 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -8.38 54.83 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.469 0.708 . . . . 0.0 112.446 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -102.18 2.64 37.52 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.132 1.773 . . . . 0.0 112.686 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -118.9 78.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.907 2.083 . . . . 0.0 109.222 170.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.7 p -82.13 -7.57 59.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.138 1.375 . . . . 0.0 114.111 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.26 65.31 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.015 1.769 . . . . 0.0 113.808 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 61.97 25.91 15.6 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.513 1.925 . . . . 0.0 112.995 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.55 -35.84 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.781 1.632 . . . . 0.0 112.262 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -110.38 -19.35 12.99 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.319 1.448 . . . . 0.0 112.275 -175.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -58.98 -19.91 47.82 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.511 1.124 . . . . 0.0 113.784 172.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -127.85 151.54 75.79 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 125.619 1.567 . . . . 0.0 111.954 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.28 148.68 68.71 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.955 3.77 . . . . 0.0 112.53 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.96 124.95 88.08 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.858 0.863 . . . . 0.0 110.15 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.16 119.64 6.13 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.499 2.799 . . . . 0.0 111.16 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.36 -22.03 61.95 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.6 p -62.01 -19.62 63.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.969 1.308 . . . . 0.0 114.046 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -121.22 7.84 10.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.26 1.424 . . . . 0.0 113.383 170.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 32.6 t -146.07 80.29 10.39 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.04 1.736 . . . . 0.0 109.592 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.68 -9.24 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.115 2.544 . . . . 0.0 113.085 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -110.0 11.85 23.86 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.613 1.565 . . . . 0.0 113.227 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.37 -41.47 65.89 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.041 -1.037 . . . . 0.0 111.686 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.55 -18.91 50.74 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.138 1.775 . . . . 0.0 113.091 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.44 -33.98 23.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.57 1.148 . . . . 0.0 112.103 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -87.28 -29.17 21.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -116.94 121.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.159 0.984 . . . . 0.0 110.987 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.63 -31.03 61.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.023 1.329 . . . . 0.0 113.295 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.51 71.4 71.42 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.227 1.811 . . . . 0.0 110.931 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.39 131.34 18.79 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.646 2.898 . . . . 0.0 110.351 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 14.1 ttt -160.28 154.82 23.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.664 1.185 . . . . 0.0 111.877 -170.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.45 172.72 14.0 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.013 2.125 . . . . 0.0 111.012 -174.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -57.02 -30.98 64.66 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -68.75 -38.46 80.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.552 0.615 . . . . 0.0 111.646 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -65.61 -38.66 90.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.088 0.955 . . . . 0.0 111.208 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 25.9 mmm -59.01 -52.19 66.82 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.612 0.642 . . . . 0.0 110.909 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -57.45 -44.61 84.9 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.86 -45.28 94.47 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.073 0.949 . . . . 0.0 111.972 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -62.84 -34.61 77.7 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -72.83 -42.6 63.62 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.528 -0.732 . . . . 0.0 111.807 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.21 -13.14 62.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.806 0.842 . . . . 0.0 113.002 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.5 3.08 48.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.119 1.767 . . . . 0.0 112.961 170.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 63.94 25.21 13.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.845 2.058 . . . . 0.0 113.936 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -74.59 -14.04 60.73 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -90.93 104.33 16.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.83 1.252 . . . . 0.0 111.005 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.17 -10.05 20.77 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.954 1.302 . . . . 0.0 113.005 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -145.04 146.14 31.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.622 1.969 . . . . 0.0 109.46 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.76 -25.74 66.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.522 0.329 . . . . 0.0 111.817 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.45 -48.58 71.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.291 1.436 . . . . 0.0 112.374 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.06 -33.79 65.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.521 0.728 . . . . 0.0 112.505 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.05 -37.64 84.42 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.599 0.759 . . . . 0.0 111.728 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.97 -43.23 62.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.598 1.159 . . . . 0.0 111.479 173.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.07 -35.4 80.43 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.109 -0.994 . . . . 0.0 112.98 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.5 -21.08 61.26 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.575 -0.703 . . . . 0.0 112.63 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -76.34 -42.4 45.0 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.22 -0.925 . . . . 0.0 109.734 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -59.8 -32.29 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.59 -0.693 . . . . 0.0 112.408 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.1 -47.31 85.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.405 1.082 . . . . 0.0 111.125 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.87 -44.45 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.152 0.981 . . . . 0.0 111.204 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.75 -52.96 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.836 0.854 . . . . 0.0 110.606 174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.5 t -60.93 -37.53 82.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.349 1.059 . . . . 0.0 112.804 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.08 -27.52 69.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.9 -49.66 23.8 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.41 -0.806 . . . . 0.0 111.219 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 55.3 mt -64.36 -26.48 68.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.537 1.135 . . . . 0.0 112.519 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.53 -19.27 49.96 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.718 1.607 . . . . 0.0 114.025 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -139.25 62.31 1.53 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.858 1.263 . . . . 0.0 112.737 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.16 163.45 20.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.118 1.367 . . . . 0.0 111.898 172.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.3 165.38 24.95 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.958 0.885 . . . . 0.0 112.29 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -73.93 -1.04 18.01 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -150.18 19.12 0.86 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -169.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 35.7 p -89.84 163.2 15.12 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.225 1.41 . . . . 0.0 113.196 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 tt -56.24 -45.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.61 1.164 . . . . 0.0 111.778 170.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -67.19 -45.03 78.14 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.22 1.008 . . . . 0.0 112.024 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -58.27 -47.07 84.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.837 0.855 . . . . 0.0 111.221 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -73.89 -30.51 62.65 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.538 0.735 . . . . 0.0 112.531 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.14 74.17 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.924 -1.11 . . . . 0.0 112.613 171.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.12 -36.22 74.65 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.505 -0.747 . . . . 0.0 112.581 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.59 -40.63 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 170.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -60.16 -42.79 95.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.874 0.87 . . . . 0.0 111.714 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.9 -47.66 84.87 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.083 0.953 . . . . 0.0 112.299 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -59.05 -33.56 70.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.7 0.8 . . . . 0.0 113.125 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.45 -65.94 0.95 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.981 1.312 . . . . 0.0 111.332 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.45 -36.34 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -87.75 -18.1 57.06 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.236 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.51 89.42 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.387 1.094 . . . . 0.0 110.951 169.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.77 99.36 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.7 0.8 . . . . 0.0 112.054 169.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.563 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.4 t -62.87 -39.28 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 65.5 mt -70.72 -37.26 73.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.328 0.651 . . . . 0.0 111.273 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.33 -47.02 68.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.527 1.131 . . . . 0.0 112.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -64.17 -33.32 75.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.931 0.892 . . . . 0.0 112.536 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.99 -29.73 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.872 1.269 . . . . 0.0 112.87 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.42 -30.95 61.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.415 1.486 . . . . 0.0 112.613 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -59.71 -28.67 67.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -74.77 -17.06 60.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.367 1.067 . . . . 0.0 112.84 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.47 -40.38 10.87 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.733 1.213 . . . . 0.0 112.083 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.33 -26.1 62.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.91 67.42 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.932 -1.105 . . . . 0.0 113.783 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -105.35 -10.43 17.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.692 1.597 . . . . 0.0 114.32 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.61 -1.49 66.0 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.741 1.639 . . . . 0.0 114.266 170.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 17.2 t -68.27 136.34 53.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.906 1.283 . . . . 0.0 113.132 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -106.5 -167.96 22.76 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.713 1.625 . . . . 0.0 113.836 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.45 174.93 11.94 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.346 3.364 . . . . 0.0 111.704 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 22.7 m 70.05 16.96 7.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.795 1.638 . . . . 0.0 114.157 172.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.9 m -76.75 7.0 5.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.716 1.607 . . . . 0.0 115.026 -175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.155 0 C-N-CA 125.512 1.529 . . . . 0.0 112.965 177.489 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.43 163.25 28.45 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.815 1.198 . . . . 0.0 113.523 -176.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -161.67 128.07 3.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.32 1.448 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.59 Favored Glycine 0 N--CA 1.476 1.308 0 C-N-CA 124.942 1.258 . . . . 0.0 115.112 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.665 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.05 154.62 24.74 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 125.418 1.485 . . . . 0.0 114.012 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.26 179.09 16.28 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.333 1.921 . . . . 0.0 113.003 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tttp 68.77 3.14 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.55 1.94 . . . . 0.0 115.251 172.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.24 -42.16 8.13 Favored Glycine 0 CA--C 1.535 1.295 0 O-C-N 120.869 -1.145 . . . . 0.0 113.949 -177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.549 2.34 . . . . 0.0 113.326 -177.43 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.367 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 m -130.14 0.6 4.68 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -169.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -149.54 137.92 20.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.327 1.451 . . . . 0.0 111.155 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.67 -11.8 44.37 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.106 1.336 . . . . 0.0 115.681 175.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m 60.53 112.29 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.982 2.913 . . . . 0.0 115.339 175.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -89.34 91.54 8.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.039 1.336 . . . . 0.0 112.01 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.31 -38.46 5.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.501 1.048 . . . . 0.0 113.213 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -58.12 -37.48 74.67 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.496 1.119 . . . . 0.0 112.481 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.55 -16.44 61.26 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.43 1.092 . . . . 0.0 113.603 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.69 -31.99 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.526 1.13 . . . . 0.0 110.656 170.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.23 -48.65 79.03 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.839 -0.538 . . . . 0.0 110.013 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.23 -45.89 75.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.865 0.466 . . . . 0.0 111.877 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -63.97 -33.12 75.0 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.57 -33.0 42.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.979 0.912 . . . . 0.0 112.776 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.7 m -72.6 -40.06 66.84 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.682 1.193 . . . . 0.0 111.451 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.34 -42.14 77.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.985 0.914 . . . . 0.0 112.554 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.89 -30.25 71.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.584 0.753 . . . . 0.0 112.497 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.13 -12.53 59.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.771 0.829 . . . . 0.0 112.324 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.51 -37.63 13.75 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.181 0.9 . . . . 0.0 109.119 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.5 -31.43 72.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.825 0.85 . . . . 0.0 112.72 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.7 -16.64 64.37 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -85.1 -20.07 30.9 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.228 1.011 . . . . 0.0 112.633 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -92.34 78.14 5.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.795 1.638 . . . . 0.0 110.298 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.2 t -82.57 -3.24 55.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.061 1.344 . . . . 0.0 113.797 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.71 -11.65 57.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.806 1.67 . . . . 0.0 113.516 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.08 26.09 15.41 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.598 1.959 . . . . 0.0 113.143 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.75 -35.48 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.186 1.394 . . . . 0.0 112.18 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -109.42 -20.5 12.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.33 1.452 . . . . 0.0 111.95 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -57.37 -22.84 45.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.896 1.278 . . . . 0.0 113.907 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -132.95 153.33 80.95 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.874 1.67 . . . . 0.0 111.67 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.94 148.94 77.23 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 124.707 3.605 . . . . 0.0 113.16 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.52 123.94 80.93 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 124.098 0.959 . . . . 0.0 109.631 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.05 123.82 8.64 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.19 2.593 . . . . 0.0 111.671 -172.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.62 -14.53 61.2 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.4 t -69.24 -32.54 71.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.79 0.836 . . . . 0.0 111.756 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -87.84 -32.18 19.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.856 0.862 . . . . 0.0 111.953 172.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.73 82.97 36.96 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.597 1.159 . . . . 0.0 111.289 -174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.17 -10.96 19.46 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.177 2.584 . . . . 0.0 113.178 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -102.1 7.0 41.21 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.667 1.587 . . . . 0.0 113.455 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -55.87 -36.73 67.92 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 112.746 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.56 -20.01 61.39 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.163 1.785 . . . . 0.0 113.419 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -88.41 -17.83 29.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.815 1.246 . . . . 0.0 112.846 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -96.59 -35.18 11.16 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 112.358 170.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.02 114.41 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.434 1.494 . . . . 0.0 109.759 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -86.66 -19.32 29.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -174.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -126.05 67.97 63.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.284 1.434 . . . . 0.0 110.067 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.25 136.0 25.86 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.972 3.114 . . . . 0.0 109.903 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.9 ttt -162.26 149.92 14.2 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -148.07 173.63 12.74 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.823 2.449 . . . . 0.0 110.103 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.99 -32.36 63.87 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.18 -37.59 85.83 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 112.01 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -67.2 -41.16 86.29 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 111.298 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 86.5 mtp -63.11 -46.43 87.36 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.672 0.669 . . . . 0.0 111.338 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.05 -47.32 78.11 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.66 -0.65 . . . . 0.0 112.363 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.38 -45.42 94.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.772 0.829 . . . . 0.0 111.72 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.26 -33.05 74.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.755 0.822 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.75 -43.59 46.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.762 -1.211 . . . . 0.0 111.423 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.43 -12.57 61.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.75 5.03 41.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.314 1.845 . . . . 0.0 113.243 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 63.32 25.88 14.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.007 1.723 . . . . 0.0 113.975 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -69.34 -22.33 63.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.983 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.13 105.17 17.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.862 1.265 . . . . 0.0 111.857 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.64 -4.46 25.13 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.254 1.422 . . . . 0.0 113.087 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -153.81 151.7 29.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.651 1.58 . . . . 0.0 110.265 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -68.98 -21.1 64.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.431 0.692 . . . . 0.0 112.26 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.97 -48.96 78.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.847 0.859 . . . . 0.0 112.117 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.59 -32.95 68.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.756 0.707 . . . . 0.0 112.524 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.6 -37.62 82.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.783 0.833 . . . . 0.0 111.762 175.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.27 -43.45 61.0 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.609 1.163 . . . . 0.0 111.479 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.53 -32.27 73.51 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.25 -0.906 . . . . 0.0 113.192 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.42 -28.87 63.24 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.632 -0.667 . . . . 0.0 112.626 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.3 -43.9 76.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.239 -0.913 . . . . 0.0 110.321 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -58.74 -36.19 73.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.92 0.488 . . . . 0.0 111.89 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.33 -44.89 96.43 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.148 0.885 . . . . 0.0 111.697 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.69 -45.44 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.797 0.839 . . . . 0.0 111.184 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.88 -55.0 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.818 0.847 . . . . 0.0 110.578 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -63.39 -35.84 81.73 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.37 -21.67 66.42 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.542 1.064 . . . . 0.0 113.173 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.0 t -77.51 -54.48 6.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.215 0.606 . . . . 0.0 110.237 169.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.87 -26.91 69.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.147 1.379 . . . . 0.0 113.386 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.97 -23.27 60.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.96 1.704 . . . . 0.0 114.194 173.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -147.13 81.09 1.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.979 1.712 . . . . 0.0 111.738 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -168.92 -179.6 3.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.102 2.161 . . . . 0.0 111.938 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.15 148.34 25.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.164 1.385 . . . . 0.0 110.723 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.46 8.16 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -169.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -144.37 11.25 1.49 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 -169.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.5 p -93.37 164.6 13.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.034 0.934 . . . . 0.0 113.419 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.05 -41.67 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.467 1.107 . . . . 0.0 110.629 169.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.665 ' HB3' HH32 ' A' ' 5' ' ' ALY . 53.3 m-85 -69.92 -38.48 76.24 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.98 1.312 . . . . 0.0 112.319 -174.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.95 -54.37 45.84 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.839 0.856 . . . . 0.0 110.575 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -60.63 -34.04 73.67 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.48 87.51 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.42 1.009 . . . . 0.0 112.305 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.34 80.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.048 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.44 -44.99 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.216 0.606 . . . . 0.0 110.671 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -69.36 -35.61 76.02 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.73 -44.69 96.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.461 1.028 . . . . 0.0 111.889 170.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.12 0.968 . . . . 0.0 113.18 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.0 -65.71 0.98 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.932 1.293 . . . . 0.0 111.449 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.11 -49.08 73.61 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.678 0.791 . . . . 0.0 112.591 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -84.48 -10.08 80.38 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-O 119.614 -0.548 . . . . 0.0 113.64 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.5 92.11 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 118.272 1.036 . . . . 0.0 110.894 170.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.29 83.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.603 0.761 . . . . 0.0 112.006 169.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.456 HG23 ' HA2' ' B' ' 140' ' ' GLY . 51.7 t -63.02 -36.89 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.243 1.017 . . . . 0.0 111.977 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.13 -37.32 66.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.487 0.715 . . . . 0.0 111.571 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.69 -46.05 73.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.715 0.806 . . . . 0.0 112.652 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.12 -33.3 75.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.024 0.93 . . . . 0.0 112.281 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.7 -28.45 20.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.038 0.935 . . . . 0.0 112.667 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.32 -28.62 68.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.599 1.16 . . . . 0.0 112.415 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.82 -30.18 68.75 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.443 1.097 . . . . 0.0 113.096 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -72.6 -24.53 61.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.175 0.99 . . . . 0.0 112.501 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.01 -41.88 16.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.256 1.022 . . . . 0.0 112.049 170.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.86 -34.6 78.51 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -25.8 65.51 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -102.47 -20.42 14.53 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.994 1.318 . . . . 0.0 114.179 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -86.93 -7.29 78.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.099 1.333 . . . . 0.0 113.819 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 6.0 t 74.6 144.18 0.08 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.574 2.75 . . . . 0.0 113.635 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -173.91 -178.43 43.84 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.126 1.346 . . . . 0.0 113.787 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.57 141.16 37.56 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.914 3.076 . . . . 0.0 111.398 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 99.1 p -168.93 -173.91 1.94 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.009 1.724 . . . . 0.0 111.46 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 22.7 t -137.24 130.54 31.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.694 1.198 . . . . 0.0 110.621 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 C-N-CA 125.144 1.354 . . . . 0.0 112.749 -176.233 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.41 167.47 45.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.342 0.972 . . . . 0.0 113.409 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -156.5 136.12 12.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.237 1.415 . . . . 0.0 110.933 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.74 -164.76 40.3 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.074 1.321 . . . . 0.0 112.763 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.688 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.44 133.78 1.85 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 127.347 2.403 . . . . 0.0 112.267 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.22 73.56 0.68 Allowed Glycine 0 N--CA 1.469 0.858 0 C-N-CA 125.275 1.417 . . . . 0.0 111.407 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -153.6 152.2 30.61 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.892 1.277 . . . . 0.0 112.15 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.69 174.7 30.89 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.632 1.587 . . . . 0.0 112.299 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.5 tp . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.513 1.525 . . . . 0.0 112.091 -174.026 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.404 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 72.38 108.91 0.07 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.431 2.293 . . . . 0.0 112.449 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -164.14 151.28 11.85 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 112.452 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.71 -90.38 1.64 Allowed Glycine 0 N--CA 1.47 0.909 0 C-N-CA 125.795 1.664 . . . . 0.0 110.884 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -75.39 137.94 41.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.487 1.115 . . . . 0.0 111.846 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -149.1 31.92 0.76 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.888 1.275 . . . . 0.0 112.917 -169.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.43 -29.2 56.78 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.359 1.457 . . . . 0.0 114.523 -169.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.95 -38.04 78.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.377 1.089 . . . . 0.0 113.124 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.35 -17.35 59.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.344 1.058 . . . . 0.0 112.656 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.19 -28.5 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.591 1.156 . . . . 0.0 111.03 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.19 -56.3 17.84 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.41 -0.806 . . . . 0.0 109.762 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.26 -40.41 96.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.011 0.524 . . . . 0.0 112.371 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -64.85 -33.7 76.64 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -76.07 -34.98 59.58 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -64.17 -45.4 88.58 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.458 1.103 . . . . 0.0 111.286 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.65 -34.83 71.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.79 0.836 . . . . 0.0 113.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -71.91 -23.4 61.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.522 0.729 . . . . 0.0 112.557 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -83.24 -25.37 31.74 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.225 -0.922 . . . . 0.0 112.462 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.29 -27.88 68.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.738 1.154 . . . . 0.0 111.383 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.33 -21.92 61.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.588 0.755 . . . . 0.0 112.9 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -66.61 -20.73 66.07 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.798 0.726 . . . . 0.0 111.893 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -97.57 2.45 50.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.47 1.508 . . . . 0.0 114.035 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.91 85.15 2.22 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.09 1.756 . . . . 0.0 110.332 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.0 t -88.65 -3.84 58.69 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.986 1.314 . . . . 0.0 114.102 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.51 -12.91 66.28 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.147 1.356 . . . . 0.0 113.155 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 62.95 20.76 12.47 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.902 2.081 . . . . 0.0 113.779 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.87 -35.12 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.869 1.268 . . . . 0.0 111.893 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -108.41 -19.55 13.42 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.718 1.207 . . . . 0.0 112.005 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 38.4 m -54.57 -27.52 39.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.587 1.555 . . . . 0.0 114.282 172.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.78 153.64 81.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 125.86 1.664 . . . . 0.0 112.376 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.46 149.34 68.66 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 124.851 3.701 . . . . 0.0 113.164 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.93 126.16 91.3 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.132 0.973 . . . . 0.0 109.704 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.11 114.94 4.13 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.209 2.606 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.96 -23.23 64.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.008 0.523 . . . . 0.0 112.397 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.0 m -60.74 -18.31 53.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.127 1.371 . . . . 0.0 113.954 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.82 7.04 9.88 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.09 1.356 . . . . 0.0 113.742 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.7 t -148.65 80.61 8.18 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.75 -9.75 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.211 2.608 . . . . 0.0 113.28 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -104.44 6.2 34.75 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.323 1.449 . . . . 0.0 113.601 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -56.14 -40.89 74.51 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.4 mt -75.79 -19.82 58.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.156 1.383 . . . . 0.0 113.219 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.23 -22.13 36.03 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.561 1.144 . . . . 0.0 112.702 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -103.83 -24.14 13.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.2 122.48 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.707 1.203 . . . . 0.0 111.035 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.8 -33.55 58.0 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -138.63 72.87 42.28 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.98 1.312 . . . . 0.0 111.894 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.56 125.03 9.76 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 -172.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 49.8 mmm -135.69 170.57 15.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.337 1.855 . . . . 0.0 111.706 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.35 169.37 22.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.218 2.207 . . . . 0.0 110.521 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -54.8 -38.51 67.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.434 0.693 . . . . 0.0 112.838 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -71.17 -30.59 66.61 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 45.1 m -67.08 -45.49 77.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.441 0.696 . . . . 0.0 110.706 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 18.2 ptm -69.77 -29.97 67.43 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -61.61 -47.91 83.3 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.199 -0.938 . . . . 0.0 111.926 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -62.24 -45.95 91.04 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.124 0.969 . . . . 0.0 111.547 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.58 -28.79 68.79 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.1 -40.97 26.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.942 0.897 . . . . 0.0 111.755 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.63 -16.45 62.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.108 0.963 . . . . 0.0 113.053 172.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.13 -3.28 21.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.009 1.724 . . . . 0.0 113.931 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 69.15 50.9 0.54 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.265 2.226 . . . . 0.0 113.205 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -16.37 28.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -82.86 -71.38 0.5 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.89 1.223 . . . . 0.0 113.417 -172.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 66.26 -2.05 1.07 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.165 2.586 . . . . 0.0 115.235 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -147.07 138.45 24.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.135 2.174 . . . . 0.0 108.655 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.6 -28.0 67.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.42 -44.83 89.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.635 1.174 . . . . 0.0 112.379 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.16 -37.24 75.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.589 0.756 . . . . 0.0 112.051 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.15 -37.99 84.74 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.214 1.005 . . . . 0.0 112.11 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -77.03 -33.6 57.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.311 1.444 . . . . 0.0 112.209 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -68.32 -35.32 77.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 113.231 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.44 -40.42 93.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.408 0.683 . . . . 0.0 111.55 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.58 -44.27 94.53 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.472 -0.767 . . . . 0.0 111.64 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -57.49 -37.04 72.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.033 0.533 . . . . 0.0 112.115 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.269 1.428 . . . . 0.0 111.573 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.33 -40.42 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.217 1.007 . . . . 0.0 111.215 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.2 -58.81 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.588 0.755 . . . . 0.0 111.039 170.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 83.9 p -66.67 -32.05 73.12 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.67 -27.52 68.98 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.088 -1.008 . . . . 0.0 113.071 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -72.23 -53.14 13.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.658 0.663 . . . . 0.0 110.106 171.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.28 -21.82 62.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.774 1.63 . . . . 0.0 113.503 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -78.59 -50.12 12.07 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.223 1.409 . . . . 0.0 113.806 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -110.88 81.06 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.473 1.109 . . . . 0.0 111.587 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.75 -166.27 0.3 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.625 2.37 . . . . 0.0 110.701 -174.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.09 33.7 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.049 0.928 . . . . 0.0 111.393 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -76.76 12.98 1.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.192 2.197 . . . . 0.0 114.263 -169.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -138.11 16.64 2.81 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.241 1.816 . . . . 0.0 113.334 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.0 p -110.66 162.04 15.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.454 1.102 . . . . 0.0 112.996 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.2 tt -61.79 -42.42 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.426 1.091 . . . . 0.0 111.106 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.688 ' HB3' HH32 ' A' ' 5' ' ' ALY . 50.6 m-85 -69.32 -37.33 77.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.621 1.169 . . . . 0.0 112.33 -171.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.03 -54.75 43.21 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.566 1.147 . . . . 0.0 110.794 172.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.54 -31.65 72.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.759 0.824 . . . . 0.0 112.955 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.14 79.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.28 0.945 . . . . 0.0 112.765 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.79 71.32 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 112.306 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.45 -41.79 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.346 0.658 . . . . 0.0 110.571 170.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -64.23 -41.85 96.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.833 0.853 . . . . 0.0 112.215 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.19 -42.72 99.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.953 0.901 . . . . 0.0 112.63 173.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -57.59 -30.77 65.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.09 0.956 . . . . 0.0 113.021 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -86.81 -63.69 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.957 1.303 . . . . 0.0 111.429 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.66 -48.53 63.73 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -170.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -77.94 -12.25 84.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 121.732 -0.605 . . . . 0.0 112.665 175.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.25 -37.03 93.53 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 117.984 0.892 . . . . 0.0 112.035 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.436 HG23 ' HA2' ' B' ' 140' ' ' GLY . 60.6 t -61.12 -38.23 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.761 0.824 . . . . 0.0 111.468 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.07 -33.56 65.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.708 0.803 . . . . 0.0 111.653 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -69.0 -50.76 46.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.275 1.03 . . . . 0.0 113.249 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.04 -24.74 68.05 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.355 1.062 . . . . 0.0 112.869 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.02 -28.44 13.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.776 0.83 . . . . 0.0 112.764 -173.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -62.31 -35.94 80.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.506 1.122 . . . . 0.0 112.551 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -20.85 63.97 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.53 -21.78 57.66 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.701 1.2 . . . . 0.0 112.499 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -91.03 -41.58 11.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.918 1.287 . . . . 0.0 112.266 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -31.13 72.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.21 68.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 4.3 mtm -67.76 -21.85 65.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.181 0.992 . . . . 0.0 112.696 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.48 13.16 68.19 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.232 1.873 . . . . 0.0 114.978 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 75.3 m -141.19 145.42 35.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.926 1.29 . . . . 0.0 112.644 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -91.02 178.48 42.1 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.726 1.155 . . . . 0.0 113.128 172.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -70.73 156.22 61.24 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 123.905 3.07 . . . . 0.0 111.413 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 89.5 p -161.44 169.81 21.19 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.143 1.377 . . . . 0.0 112.173 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 78.5 p -159.02 161.03 36.55 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.703 1.201 . . . . 0.0 112.43 -174.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 C-N-CA 125.164 1.364 . . . . 0.0 112.898 -178.552 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.82 19.95 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-N 119.174 0.897 . . . . 0.0 113.048 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -149.28 135.55 19.16 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.639 1.976 . . . . 0.0 110.064 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.06 -9.29 56.09 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.961 1.267 . . . . 0.0 115.103 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.537 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.65 161.1 18.08 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 130.483 3.897 . . . . 0.0 111.404 169.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.99 171.02 48.78 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.188 0.899 . . . . 0.0 114.359 -171.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt 64.63 -140.5 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.887 1.675 . . . . 0.0 112.074 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.51 155.97 29.21 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.629 1.585 . . . . 0.0 112.555 -173.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.29 1.836 . . . . 0.0 111.657 -176.118 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.31 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -165.64 -166.55 0.97 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.552 1.941 . . . . 0.0 110.271 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -73.83 162.01 29.57 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.578 -1.326 . . . . 0.0 112.373 169.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.48 62.02 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.418 1.008 . . . . 0.0 114.955 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 55.5 m -63.59 152.39 38.94 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.49 1.145 . . . . 0.0 112.553 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.1 m -143.84 158.36 43.74 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.478 1.511 . . . . 0.0 111.248 -175.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.55 -35.36 88.96 Favored Glycine 0 N--CA 1.472 1.061 0 O-C-N 121.239 -0.913 . . . . 0.0 113.159 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -61.48 -42.88 99.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.582 1.153 . . . . 0.0 112.47 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.95 -31.56 72.22 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.146 0.978 . . . . 0.0 111.32 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.32 -32.58 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.962 0.905 . . . . 0.0 112.194 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.6 mt -54.94 -43.9 73.81 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.369 0.986 . . . . 0.0 110.213 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.24 -36.22 79.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.5 0.72 . . . . 0.0 111.478 -173.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -58.69 -51.24 70.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.466 0.706 . . . . 0.0 110.977 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.63 -30.77 69.56 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.498 0.719 . . . . 0.0 112.936 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -74.46 -48.05 29.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.719 1.208 . . . . 0.0 111.222 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.4 -39.69 84.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.943 0.792 . . . . 0.0 112.418 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.59 -25.77 65.05 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.24 -32.29 49.63 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 111.808 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.88 -31.73 72.04 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.679 1.127 . . . . 0.0 112.237 170.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.23 -23.23 61.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.49 -15.53 59.87 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.92 0.782 . . . . 0.0 112.63 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -87.54 -1.23 57.8 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.693 1.197 . . . . 0.0 113.805 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -119.14 80.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 109.894 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -83.38 -6.1 59.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.786 1.234 . . . . 0.0 113.93 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.95 -11.2 61.88 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.559 1.552 . . . . 0.0 113.807 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.09 31.36 19.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.201 1.8 . . . . 0.0 113.214 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.23 -29.96 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 111.597 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -115.42 -14.84 11.57 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.772 . . . . 0.0 112.373 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.9 m -57.74 -25.77 60.89 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.206 1.402 . . . . 0.0 113.589 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -131.91 152.58 80.53 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.85 1.66 . . . . 0.0 112.24 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.32 153.67 61.45 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 124.857 3.705 . . . . 0.0 112.799 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.38 125.12 89.82 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.025 0.93 . . . . 0.0 109.926 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.5 116.48 4.73 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.364 2.71 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.26 -21.0 61.44 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -61.0 -23.73 65.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.365 1.066 . . . . 0.0 113.205 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -115.98 6.06 14.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.201 1.401 . . . . 0.0 114.038 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.9 t -147.6 82.03 8.26 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.82 1.648 . . . . 0.0 108.947 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.98 -7.03 15.32 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.187 2.592 . . . . 0.0 113.049 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -108.08 12.39 26.87 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.87 1.668 . . . . 0.0 113.059 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -55.41 -41.67 73.06 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.704 -1.247 . . . . 0.0 112.468 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.7 mt -78.43 -19.15 53.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.219 1.408 . . . . 0.0 113.468 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.96 -24.26 58.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.039 0.935 . . . . 0.0 112.351 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -99.59 -30.97 11.83 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.255 1.022 . . . . 0.0 113.417 173.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.2 mm -118.55 111.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 110.892 -174.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -76.11 -29.51 57.9 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.544 1.138 . . . . 0.0 113.598 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -136.14 86.45 25.49 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 126.011 1.725 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.31 145.14 16.76 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.371 2.714 . . . . 0.0 112.11 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 44.9 ttm -158.12 153.17 25.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -147.87 169.77 19.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 109.722 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -58.51 -29.7 66.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.85 -39.59 93.8 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.492 0.717 . . . . 0.0 112.326 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.2 m -63.76 -43.51 96.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.867 . . . . 0.0 110.885 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.9 mtp -62.89 -45.05 94.37 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.796 0.271 . . . . 0.0 111.564 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -58.16 -42.2 85.47 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -64.6 -46.24 83.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.825 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -62.74 -33.73 75.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -75.23 -42.92 54.29 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.264 1.026 . . . . 0.0 111.582 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.87 -15.99 62.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.089 0.955 . . . . 0.0 113.22 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.25 6.76 43.05 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.379 1.872 . . . . 0.0 113.363 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 63.08 30.05 16.21 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 113.954 172.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -79.06 -14.57 59.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.942 1.297 . . . . 0.0 113.935 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -97.07 106.91 19.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.926 1.29 . . . . 0.0 111.245 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -7.66 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.853 1.261 . . . . 0.0 113.128 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -145.17 146.2 31.67 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.556 1.942 . . . . 0.0 109.779 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.96 -27.16 67.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.908 0.483 . . . . 0.0 112.161 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -57.3 -44.66 84.31 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.097 1.359 . . . . 0.0 112.832 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.5 -34.59 65.36 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.617 0.767 . . . . 0.0 112.336 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -67.97 -37.34 81.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.299 1.04 . . . . 0.0 111.65 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.44 -40.11 67.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.997 1.319 . . . . 0.0 111.924 173.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.18 -31.68 71.39 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.027 -1.046 . . . . 0.0 113.108 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.44 -29.86 65.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.558 -0.714 . . . . 0.0 112.399 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.09 -43.52 78.33 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.917 -1.114 . . . . 0.0 111.013 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -57.84 -31.33 66.54 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.942 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.9 -42.68 85.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.211 0.914 . . . . 0.0 112.155 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.7 -44.91 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.222 1.009 . . . . 0.0 111.093 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.94 -54.02 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.236 0.614 . . . . 0.0 110.483 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -61.5 -36.83 81.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 113.05 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -40.13 52.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.965 1.306 . . . . 0.0 112.904 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.2 t -78.32 -34.4 48.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.892 -0.505 . . . . 0.0 111.908 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.39 -21.88 52.51 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.087 0.955 . . . . 0.0 112.187 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -80.5 -24.58 39.3 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.632 1.573 . . . . 0.0 114.333 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -144.27 94.86 2.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.52 172.0 1.19 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.609 2.764 . . . . 0.0 110.323 172.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.51 165.68 17.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.047 0.939 . . . . 0.0 111.4 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -80.74 6.24 13.46 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.05 17.03 1.22 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.777 1.231 . . . . 0.0 113.973 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.3 p -95.21 156.95 16.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.083 1.353 . . . . 0.0 112.941 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.86 -41.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.746 1.218 . . . . 0.0 112.567 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.537 ' HB3' HH32 ' A' ' 5' ' ' ALY . 24.0 m-85 -67.85 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.816 0.847 . . . . 0.0 112.517 -174.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.33 -43.56 92.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.52 0.728 . . . . 0.0 111.053 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.21 -30.1 60.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.299 1.039 . . . . 0.0 113.063 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.32 74.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.346 0.975 . . . . 0.0 112.389 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.6 81.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.621 0.768 . . . . 0.0 112.584 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.07 -39.97 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.579 0.752 . . . . 0.0 110.492 172.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.56 -33.02 74.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.386 0.674 . . . . 0.0 112.497 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.66 -43.58 84.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.861 0.864 . . . . 0.0 111.568 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -57.71 -32.6 67.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.997 0.919 . . . . 0.0 112.742 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.52 -67.49 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.656 1.183 . . . . 0.0 111.567 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.88 -45.81 73.45 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.525 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -79.45 -13.88 82.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 121.79 -0.569 . . . . 0.0 113.421 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.79 87.79 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.088 0.944 . . . . 0.0 111.329 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.793 0.797 . . . . 0.0 111.765 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.525 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.4 t -60.07 -39.87 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.853 0.861 . . . . 0.0 110.914 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.03 -36.81 78.15 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.909 -0.494 . . . . 0.0 111.465 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -72.9 -41.28 64.76 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -65.99 -25.46 67.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.078 0.951 . . . . 0.0 112.506 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.28 13.69 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.612 0.765 . . . . 0.0 112.499 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.49 -41.94 95.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.766 1.627 . . . . 0.0 112.516 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -65.59 -17.83 64.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.05 -17.1 61.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.249 1.02 . . . . 0.0 112.825 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.54 -39.41 12.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.754 1.222 . . . . 0.0 112.578 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.59 -31.72 71.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.69 67.81 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 5.6 mtm -73.49 -21.44 60.42 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.808 1.243 . . . . 0.0 112.928 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -107.28 26.29 19.12 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.643 2.068 . . . . 0.0 113.701 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 9.5 t -153.18 155.92 37.6 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.497 1.119 . . . . 0.0 112.293 -172.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -89.11 -175.99 46.44 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 125.196 1.379 . . . . 0.0 113.67 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.02 130.9 21.1 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.628 2.885 . . . . 0.0 110.408 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 10.1 t -83.57 -33.32 25.43 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.1 m 67.09 163.88 0.2 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.286 2.234 . . . . 0.0 114.614 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.271 -1.294 . . . . 0.0 112.963 178.512 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.737 0.304 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.17 -122.58 1.13 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.771 1.177 . . . . 0.0 113.121 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.74 160.11 41.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.919 1.688 . . . . 0.0 111.326 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.26 172.06 54.54 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.775 1.179 . . . . 0.0 113.166 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.401 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.73 151.63 19.2 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 126.621 2.058 . . . . 0.0 112.712 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.27 127.57 8.07 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.302 0.953 . . . . 0.0 111.329 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -161.49 -32.24 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.459 1.104 . . . . 0.0 113.817 -174.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.15 179.3 24.92 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 125.972 1.749 . . . . 0.0 113.192 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.155 1.782 . . . . 0.0 111.625 -176.909 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -91.42 124.47 35.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.611 1.164 . . . . 0.0 112.188 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 66.25 8.53 5.66 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -148.27 158.62 27.75 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 125.135 1.35 . . . . 0.0 114.088 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -91.78 -8.38 46.93 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m 60.58 39.2 18.22 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 169.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.21 -28.59 50.17 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.48 1.514 . . . . 0.0 114.875 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.82 1.31 . . . . 0.0 113.106 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.65 -16.03 60.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.195 0.998 . . . . 0.0 112.861 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.2 mt -76.24 -29.86 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.68 1.192 . . . . 0.0 110.841 170.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.17 -44.54 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.472 -0.767 . . . . 0.0 110.473 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.54 -44.75 77.54 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.141 -0.457 . . . . 0.0 111.471 -173.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -64.34 -34.64 78.61 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.443 0.565 . . . . 0.0 112.306 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -77.44 -20.25 54.81 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.8 m -87.62 -44.17 11.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.461 1.104 . . . . 0.0 111.546 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.07 -39.85 75.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.378 1.071 . . . . 0.0 112.716 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.44 -28.0 69.37 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -79.51 -21.77 44.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.842 0.857 . . . . 0.0 112.707 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.38 -27.48 60.67 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.881 1.219 . . . . 0.0 111.615 169.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.8 -21.03 63.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.563 0.619 . . . . 0.0 112.412 175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.49 -7.36 53.93 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.371 1.068 . . . . 0.0 113.014 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -102.34 -2.57 28.68 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.449 1.5 . . . . 0.0 113.095 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.23 85.26 2.15 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.45 1.9 . . . . 0.0 109.392 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.9 t -85.67 -4.81 59.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.819 1.248 . . . . 0.0 113.922 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.69 -11.73 57.67 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.413 1.482 . . . . 0.0 113.672 170.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 60.79 26.42 16.24 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.365 1.866 . . . . 0.0 113.151 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.44 -32.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.685 1.594 . . . . 0.0 112.054 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -111.05 -15.65 13.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.714 1.605 . . . . 0.0 112.612 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -56.72 -22.38 34.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.359 1.464 . . . . 0.0 113.843 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.95 156.82 79.63 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.387 1.875 . . . . 0.0 111.736 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.65 150.93 79.73 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.583 3.522 . . . . 0.0 111.859 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.96 126.72 90.64 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.698 0.799 . . . . 0.0 109.933 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.67 117.29 5.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.442 2.761 . . . . 0.0 110.851 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.72 -23.72 62.51 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.06 -18.02 59.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.944 1.298 . . . . 0.0 113.923 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.37 6.32 10.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.214 1.406 . . . . 0.0 113.815 170.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -150.72 78.24 7.58 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.245 1.818 . . . . 0.0 109.073 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.02 -11.37 16.46 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.049 2.5 . . . . 0.0 113.012 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.63 12.55 36.21 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.784 1.633 . . . . 0.0 113.012 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -55.83 -41.22 73.94 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.802 -1.187 . . . . 0.0 112.39 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.47 -19.85 55.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.026 1.331 . . . . 0.0 113.403 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.67 -27.35 50.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.106 0.963 . . . . 0.0 112.304 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -96.27 -28.89 14.3 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -118.8 112.06 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.116 1.367 . . . . 0.0 110.527 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -80.37 -26.97 38.32 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -130.41 68.39 81.26 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.81 1.644 . . . . 0.0 111.186 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.88 138.85 32.22 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.685 2.924 . . . . 0.0 111.597 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpt -153.9 162.41 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.016 1.326 . . . . 0.0 113.075 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.89 168.22 17.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 111.76 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.32 -29.8 71.05 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -66.96 -41.82 86.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.877 0.762 . . . . 0.0 110.894 173.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -68.98 -36.81 78.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.878 0.871 . . . . 0.0 111.263 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.8 mtp -56.27 -52.3 65.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.925 0.784 . . . . 0.0 110.859 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.68 -41.39 86.08 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -61.14 -46.31 91.08 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.218 1.007 . . . . 0.0 111.904 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.95 -32.74 74.41 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.833 0.853 . . . . 0.0 112.062 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -73.31 -41.74 63.18 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.461 -1.399 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.08 -12.65 60.52 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.108 0.963 . . . . 0.0 113.504 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.22 8.24 33.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.86 1.664 . . . . 0.0 112.944 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 63.88 23.54 13.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.286 1.834 . . . . 0.0 114.079 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.18 -27.77 69.29 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.49 1.116 . . . . 0.0 112.71 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -85.99 101.72 13.15 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.971 1.308 . . . . 0.0 111.525 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 61.6 mt -96.4 -20.45 18.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.768 1.227 . . . . 0.0 113.633 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -141.22 149.92 42.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.337 1.855 . . . . 0.0 110.452 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -66.64 -26.69 67.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.315 0.646 . . . . 0.0 112.715 -172.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.79 -40.83 85.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.741 1.216 . . . . 0.0 112.722 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -77.34 -33.64 55.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.609 0.763 . . . . 0.0 112.308 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.11 -38.69 88.81 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.03 0.932 . . . . 0.0 111.652 172.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.56 -43.5 69.36 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.909 1.284 . . . . 0.0 111.586 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.09 -34.88 78.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.234 -0.916 . . . . 0.0 113.054 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.17 -27.15 62.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -70.03 -43.29 71.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.588 -0.695 . . . . 0.0 110.405 169.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -59.49 -31.29 69.22 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.126 0.57 . . . . 0.0 112.144 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.7 -42.46 99.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.864 0.866 . . . . 0.0 111.934 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.14 -47.83 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.002 0.921 . . . . 0.0 110.854 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 81.2 t -60.97 -50.45 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.058 . . . . 0.0 110.413 177.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -58.75 -41.44 86.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.382 1.073 . . . . 0.0 112.42 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.06 -21.69 64.98 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.089 -1.007 . . . . 0.0 113.583 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.5 t -74.17 -55.42 6.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.935 0.789 . . . . 0.0 109.72 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.79 -23.08 67.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -81.25 -14.33 57.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.737 2.015 . . . . 0.0 113.933 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -150.7 81.09 1.34 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 112.495 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -170.83 178.63 3.43 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.342 2.257 . . . . 0.0 111.408 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.73 157.22 16.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.787 1.235 . . . . 0.0 110.779 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -66.68 -4.71 9.48 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 -169.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -143.59 16.94 1.83 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -169.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 75.3 p -83.5 163.25 20.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 112.46 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 tt -55.3 -40.84 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.743 0.817 . . . . 0.0 110.995 169.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.401 ' HB3' HH32 ' A' ' 5' ' ' ALY . 37.9 m-85 -68.46 -41.34 80.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.834 1.254 . . . . 0.0 112.168 -175.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -58.68 -52.29 66.32 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.99 0.516 . . . . 0.0 110.422 171.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -67.66 -29.68 69.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.612 0.765 . . . . 0.0 112.733 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.8 78.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.412 1.085 . . . . 0.0 112.788 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.31 75.64 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.409 -0.807 . . . . 0.0 112.062 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.37 -39.17 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.883 -0.511 . . . . 0.0 111.089 170.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -58.54 -47.51 83.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.733 0.813 . . . . 0.0 111.596 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.02 -45.26 95.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.012 0.925 . . . . 0.0 112.367 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -57.36 -32.72 67.05 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.409 1.084 . . . . 0.0 113.22 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -91.4 -64.19 1.16 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.956 1.303 . . . . 0.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -70.27 -42.79 71.64 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -169.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.445 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.33 -11.59 81.92 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 118.756 0.707 . . . . 0.0 113.232 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.89 88.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.216 1.008 . . . . 0.0 110.973 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.92 87.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.645 0.778 . . . . 0.0 112.081 169.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.445 HG23 ' HA2' ' B' ' 140' ' ' GLY . 52.4 t -62.7 -35.34 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.144 0.978 . . . . 0.0 111.761 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.65 -35.94 60.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.269 0.627 . . . . 0.0 111.301 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -67.39 -46.17 74.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.847 0.859 . . . . 0.0 112.758 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -65.02 -34.49 78.56 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.01 0.924 . . . . 0.0 112.022 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.01 -26.89 21.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.644 0.777 . . . . 0.0 112.489 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -56.61 -33.82 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.791 1.236 . . . . 0.0 111.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.17 -24.89 68.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.77 -23.8 60.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.087 0.858 . . . . 0.0 112.444 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.36 13.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.472 1.109 . . . . 0.0 111.984 171.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.46 -34.01 77.22 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -25.09 67.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -105.68 -13.63 15.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.599 1.559 . . . . 0.0 113.828 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.56 14.35 65.06 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.643 2.068 . . . . 0.0 114.168 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 36.7 m -124.95 155.84 38.97 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.557 1.543 . . . . 0.0 111.912 -178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -75.64 175.36 51.74 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.248 0.928 . . . . 0.0 113.608 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 131.57 26.22 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.761 2.974 . . . . 0.0 110.976 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 32.7 t -170.96 -49.15 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.741 1.616 . . . . 0.0 110.819 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 47.5 m -80.38 163.11 24.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.54 1.136 . . . . 0.0 112.231 170.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.235 0 C-N-CA 125.072 1.32 . . . . 0.0 112.842 -179.255 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.503 0.192 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.26 109.49 2.15 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.508 1.528 . . . . 0.0 112.532 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -96.76 -14.26 22.09 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.342 1.457 . . . . 0.0 113.636 175.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 149.09 19.17 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 124.875 1.226 . . . . 0.0 112.347 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.641 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.96 129.85 1.15 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.154 1.835 . . . . 0.0 112.484 171.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.3 141.73 15.51 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.416 1.484 . . . . 0.0 112.732 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -108.99 -7.66 15.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.276 1.43 . . . . 0.0 113.243 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 14.58 69.58 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.789 1.185 . . . . 0.0 113.644 -170.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 128.145 2.578 . . . . 0.0 111.29 -176.221 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -134.83 -52.59 0.8 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.973 0.909 . . . . 0.0 112.602 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 24.8 m -96.49 -0.61 48.76 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.363 1.065 . . . . 0.0 113.274 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.79 154.08 24.97 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.514 1.531 . . . . 0.0 112.318 -170.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -119.03 -178.06 3.48 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.025 1.33 . . . . 0.0 110.742 174.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 27.8 p -74.71 -74.41 0.2 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.741 -1.224 . . . . 0.0 111.963 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.58 -66.0 1.36 Allowed Glycine 0 C--N 1.338 0.652 0 C-N-CA 126.884 2.183 . . . . 0.0 111.115 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.8 -44.11 90.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.952 1.301 . . . . 0.0 112.514 -174.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.17 -23.03 65.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.223 1.009 . . . . 0.0 112.822 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.22 -31.54 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.445 1.098 . . . . 0.0 110.746 174.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.02 -48.18 77.36 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.653 -0.654 . . . . 0.0 110.166 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.59 -43.68 84.24 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.509 -171.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -61.89 -36.38 81.12 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.482 0.583 . . . . 0.0 112.033 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.47 -40.29 67.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.795 0.838 . . . . 0.0 112.854 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -69.39 -43.44 73.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.645 1.578 . . . . 0.0 111.523 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -57.97 -37.84 74.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.42 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.36 -22.44 62.77 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -81.77 -27.58 33.68 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.343 0.974 . . . . 0.0 111.896 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.59 -30.53 70.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.703 1.138 . . . . 0.0 111.285 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.7 -22.1 61.69 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.26 -13.69 61.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.081 0.855 . . . . 0.0 112.623 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -94.0 0.19 55.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.123 1.369 . . . . 0.0 113.13 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.09 78.05 1.68 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.909 2.083 . . . . 0.0 109.811 173.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 79.5 p -82.21 -7.96 59.63 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.187 1.395 . . . . 0.0 114.28 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.45 -10.55 67.8 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.944 1.735 . . . . 0.0 113.746 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 59.64 27.52 16.76 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.494 1.917 . . . . 0.0 113.191 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.63 -35.02 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.512 1.525 . . . . 0.0 111.725 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -112.19 -16.82 12.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.625 1.57 . . . . 0.0 112.231 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -59.02 -20.73 55.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.093 1.357 . . . . 0.0 114.104 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -129.72 154.49 80.98 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 125.906 1.682 . . . . 0.0 111.456 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -65.91 143.58 73.51 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 124.384 3.389 . . . . 0.0 112.018 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.88 124.5 64.91 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.485 0.714 . . . . 0.0 110.54 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.84 113.22 3.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.354 2.703 . . . . 0.0 110.911 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.77 -23.31 63.35 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.063 0.545 . . . . 0.0 112.386 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -61.58 -18.49 59.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.916 1.287 . . . . 0.0 113.97 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -121.37 5.56 10.19 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.271 1.428 . . . . 0.0 113.695 170.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.96 78.7 11.4 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.493 1.517 . . . . 0.0 109.712 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.9 -12.16 17.94 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.118 2.546 . . . . 0.0 113.494 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -104.16 6.2 35.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.478 1.511 . . . . 0.0 113.314 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -55.84 -44.33 77.89 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.964 -1.085 . . . . 0.0 112.147 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.72 -18.07 59.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.337 1.455 . . . . 0.0 113.19 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.31 -20.46 25.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.893 1.277 . . . . 0.0 113.069 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -105.22 -25.56 12.4 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.369 1.068 . . . . 0.0 113.333 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.59 124.05 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.007 1.323 . . . . 0.0 110.365 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.17 -30.12 48.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.477 1.111 . . . . 0.0 113.387 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -137.21 69.52 55.71 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.929 1.692 . . . . 0.0 111.4 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.0 130.64 16.94 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.635 2.89 . . . . 0.0 111.415 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 16.7 ttt -162.6 150.93 14.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.997 1.319 . . . . 0.0 112.618 -170.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -147.3 174.96 11.15 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.748 2.419 . . . . 0.0 110.859 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -59.96 -23.64 63.74 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.99 -38.93 89.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.18 0.9 . . . . 0.0 111.378 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 42.0 m -67.76 -35.98 79.68 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.979 1.312 . . . . 0.0 111.666 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 55.5 mmm -56.95 -53.83 53.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.397 0.679 . . . . 0.0 110.628 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.29 -42.18 86.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -65.51 -45.18 84.51 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.762 0.825 . . . . 0.0 112.286 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -58.45 -40.63 83.16 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.56 0.744 . . . . 0.0 111.824 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.06 -41.74 70.34 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.26 -0.9 . . . . 0.0 112.314 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.4 -12.15 59.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 0.0 113.349 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.7 7.69 32.68 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.095 1.758 . . . . 0.0 113.021 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 65.08 22.83 12.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.756 2.022 . . . . 0.0 114.2 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -68.83 -20.86 64.31 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.223 1.009 . . . . 0.0 113.279 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -87.01 104.02 15.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.877 1.271 . . . . 0.0 111.47 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 59.8 mt -99.24 -19.52 17.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.223 1.409 . . . . 0.0 113.352 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -140.48 150.04 43.28 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.592 1.957 . . . . 0.0 110.313 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -66.25 -27.7 68.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.109 0.564 . . . . 0.0 112.452 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -44.35 76.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.993 1.317 . . . . 0.0 112.508 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -73.18 -33.66 65.55 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 0.0 112.615 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -67.18 -37.33 83.53 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.708 0.803 . . . . 0.0 111.513 174.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.65 -44.17 64.8 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.511 1.124 . . . . 0.0 111.443 173.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.89 -1.131 . . . . 0.0 113.146 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -74.47 -23.64 58.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.479 -0.763 . . . . 0.0 112.391 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -69.62 -44.01 71.53 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.974 . . . . 0.0 109.421 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -58.57 -32.83 69.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.549 0.74 . . . . 0.0 112.401 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.91 -43.67 98.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.999 0.92 . . . . 0.0 111.982 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.727 0.811 . . . . 0.0 110.841 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.68 -55.55 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.823 0.849 . . . . 0.0 110.696 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.8 p -67.33 -27.04 66.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.39 -23.17 66.28 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.103 -0.998 . . . . 0.0 113.193 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.75 -53.21 8.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.774 0.715 . . . . 0.0 110.282 169.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 76.9 mt -56.46 -26.66 54.67 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.762 1.625 . . . . 0.0 113.302 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -87.24 -13.34 44.07 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.87 1.668 . . . . 0.0 114.301 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -138.29 70.03 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.685 1.594 . . . . 0.0 112.273 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.76 176.24 9.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.779 1.631 . . . . 0.0 112.247 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -114.62 162.69 16.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.095 1.358 . . . . 0.0 111.277 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.93 -0.19 2.17 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -137.13 6.42 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 51.9 p -84.36 158.63 21.08 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.085 0.857 . . . . 0.0 112.252 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.7 tt -58.41 -41.93 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 111.419 170.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.641 ' HB3' HH32 ' A' ' 5' ' ' ALY . 48.2 m-85 -68.27 -38.26 81.54 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.704 1.202 . . . . 0.0 112.335 -172.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.85 -51.8 68.1 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.176 0.99 . . . . 0.0 111.262 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -71.55 -28.7 64.03 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.588 0.755 . . . . 0.0 112.804 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.56 91.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.411 1.005 . . . . 0.0 112.344 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.75 80.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.4 0.68 . . . . 0.0 112.363 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.9 -42.27 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.192 0.597 . . . . 0.0 110.741 171.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.34 -33.31 74.97 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.558 -0.714 . . . . 0.0 112.833 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.54 -46.88 83.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.614 0.766 . . . . 0.0 111.282 169.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -59.28 -31.28 68.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.139 0.975 . . . . 0.0 113.129 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -81.13 -67.7 0.75 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.788 1.235 . . . . 0.0 111.757 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.32 -42.65 71.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -78.75 -10.29 86.32 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.607 0.64 . . . . 0.0 113.239 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.8 -36.39 92.16 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 118.139 0.97 . . . . 0.0 111.234 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.19 87.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.703 0.752 . . . . 0.0 111.695 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.446 HG23 ' HA2' ' B' ' 140' ' ' GLY . 40.6 t -61.75 -36.55 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.684 0.793 . . . . 0.0 111.632 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.38 -40.26 70.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.937 0.895 . . . . 0.0 111.551 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -67.61 -47.42 69.71 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.85 -35.33 80.28 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.015 0.926 . . . . 0.0 111.795 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.31 -25.84 23.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.867 0.867 . . . . 0.0 112.271 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -62.56 -32.3 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.92 1.288 . . . . 0.0 112.519 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -28.72 69.51 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.246 -0.909 . . . . 0.0 113.167 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -72.07 -21.1 61.56 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.54 1.136 . . . . 0.0 112.726 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.99 -43.22 11.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.21 1.004 . . . . 0.0 111.993 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.03 -34.08 75.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.857 0.863 . . . . 0.0 113.316 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -21.08 66.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 18.7 ptt? -113.75 -12.1 12.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.702 1.601 . . . . 0.0 114.584 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.55 -11.93 85.0 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.227 1.394 . . . . 0.0 113.631 173.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 74.3 m -137.42 146.27 44.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.446 1.898 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -77.56 166.8 53.58 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 123.968 0.794 . . . . 0.0 113.83 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.32 141.02 41.9 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.903 3.069 . . . . 0.0 111.049 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 56.7 p -84.84 -15.86 43.29 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 7.4 t -170.74 174.46 4.92 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.841 2.056 . . . . 0.0 110.907 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 C-N-CA 125.742 1.639 . . . . 0.0 112.858 178.241 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 119.451 -0.309 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.34 153.77 8.68 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.834 1.206 . . . . 0.0 113.06 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -107.32 60.86 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.861 1.265 . . . . 0.0 111.361 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.43 -20.47 46.31 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 125.916 1.722 . . . . 0.0 114.711 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.619 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.56 131.53 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 128.497 2.951 . . . . 0.0 112.117 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.8 155.12 27.5 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.816 1.198 . . . . 0.0 113.238 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -165.41 -42.35 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.184 1.393 . . . . 0.0 113.804 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.86 147.99 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.37 1.462 . . . . 0.0 112.755 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.716 1.606 . . . . 0.0 111.29 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.458 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 63.3 m -143.83 117.11 9.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.278 1.031 . . . . 0.0 111.137 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.4 t -71.2 -16.96 62.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.9 6.45 70.5 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.681 1.61 . . . . 0.0 115.117 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -121.69 127.01 50.29 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.037 1.418 . . . . 0.0 111.544 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -95.45 -11.86 26.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.948 0.899 . . . . 0.0 113.196 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.56 -23.98 67.41 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 121.388 -0.82 . . . . 0.0 111.61 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -66.69 -35.51 80.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.374 1.47 . . . . 0.0 112.22 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.91 -31.37 67.97 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.869 0.759 . . . . 0.0 111.3 -177.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.43 -35.82 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.601 1.161 . . . . 0.0 111.541 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.06 -39.33 74.69 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.931 0.892 . . . . 0.0 111.355 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.14 -35.18 71.61 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.963 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -60.0 -51.84 67.94 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.56 0.695 . . . . 0.0 110.258 170.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -62.41 -31.26 71.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.057 1.343 . . . . 0.0 112.749 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -78.06 -51.44 10.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.987 1.315 . . . . 0.0 110.985 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.39 -38.26 76.97 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.061 0.944 . . . . 0.0 112.855 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.24 -24.01 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.431 0.692 . . . . 0.0 112.776 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -83.14 -24.89 32.36 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.118 -0.989 . . . . 0.0 113.33 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.63 -24.15 65.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.481 1.491 . . . . 0.0 112.209 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -70.0 -20.98 63.26 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.375 -0.828 . . . . 0.0 112.514 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.16 2.34 18.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.516 1.126 . . . . 0.0 112.472 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -115.97 -1.52 12.51 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.06 1.744 . . . . 0.0 113.376 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -122.45 88.6 2.96 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.841 1.657 . . . . 0.0 109.946 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.5 t -89.42 -3.24 58.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.942 1.297 . . . . 0.0 114.122 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.98 -12.43 55.34 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.36 1.457 . . . . 0.0 114.102 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 60.48 22.85 12.5 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.792 2.037 . . . . 0.0 113.698 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.87 -28.71 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.094 1.358 . . . . 0.0 111.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -116.7 -16.66 10.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.893 1.677 . . . . 0.0 111.946 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.6 m -57.07 -26.05 59.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.329 1.052 . . . . 0.0 113.833 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.75 149.01 70.76 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 125.828 1.651 . . . . 0.0 112.599 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.79 148.81 86.94 Favored 'Trans proline' 0 C--N 1.351 0.675 1 C-N-CA 125.481 4.121 . . . . 0.0 112.826 -172.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.91 127.55 91.84 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.389 1.076 . . . . 0.0 109.908 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.56 107.25 2.41 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.018 2.479 . . . . 0.0 110.427 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.8 -23.19 63.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -61.72 -18.81 61.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.11 1.364 . . . . 0.0 113.917 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.98 6.01 7.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.171 1.388 . . . . 0.0 113.587 171.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.438 HG11 ' HD2' ' A' ' 5' ' ' ALY . 21.9 t -145.5 68.15 13.21 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 126.591 1.957 . . . . 0.0 108.861 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.66 -17.31 18.25 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.971 2.447 . . . . 0.0 112.558 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -92.18 6.48 46.47 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.603 1.561 . . . . 0.0 113.429 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' B' ' 77' ' ' VAL . 76.7 t80 -54.41 -47.42 72.79 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.371 -0.831 . . . . 0.0 111.747 171.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.28 -19.67 59.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.785 1.234 . . . . 0.0 113.487 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.02 -18.04 58.42 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.917 0.887 . . . . 0.0 112.898 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -105.85 -27.74 11.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.314 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -115.49 107.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.772 1.629 . . . . 0.0 110.433 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -77.97 -27.16 49.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -126.33 77.23 72.62 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.657 1.583 . . . . 0.0 111.244 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.6 156.19 44.83 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.195 2.597 . . . . 0.0 111.562 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.05 166.1 32.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.929 1.692 . . . . 0.0 112.205 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.48 158.88 21.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.244 1.818 . . . . 0.0 111.036 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.07 -35.29 64.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.324 0.65 . . . . 0.0 112.598 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.96 -43.23 93.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.646 0.657 . . . . 0.0 111.657 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -62.7 -43.08 99.72 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.839 0.856 . . . . 0.0 111.104 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 87.9 mtp -62.63 -46.04 90.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.513 0.597 . . . . 0.0 111.716 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.83 -42.27 88.86 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.549 -0.72 . . . . 0.0 112.578 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -64.55 -45.37 87.38 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.427 1.091 . . . . 0.0 111.971 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -61.52 -39.85 92.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.461 0.705 . . . . 0.0 112.136 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.7 -41.99 78.38 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.144 -0.972 . . . . 0.0 111.797 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.78 -10.68 58.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.965 0.906 . . . . 0.0 113.255 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.92 4.93 43.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.998 1.719 . . . . 0.0 113.065 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 64.66 27.9 13.16 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.795 2.038 . . . . 0.0 113.613 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -74.98 -15.23 60.67 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.053 1.341 . . . . 0.0 113.401 -171.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -98.0 104.55 16.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.089 1.355 . . . . 0.0 111.13 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.55 -10.03 22.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.927 1.291 . . . . 0.0 113.103 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -145.79 149.39 34.27 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.691 1.996 . . . . 0.0 109.599 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -66.28 -27.52 68.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.02 0.528 . . . . 0.0 112.191 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.56 -43.74 89.47 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.885 1.274 . . . . 0.0 113.051 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -72.32 -35.68 68.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.074 0.852 . . . . 0.0 112.303 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.16 -39.42 86.47 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.188 0.995 . . . . 0.0 111.474 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.6 -41.16 79.98 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.039 1.335 . . . . 0.0 111.331 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.49 -34.02 75.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.146 0.979 . . . . 0.0 113.52 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.59 -30.83 69.66 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.53 -43.05 77.59 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.593 -0.692 . . . . 0.0 110.882 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.28 -35.45 73.77 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.852 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.86 -42.64 99.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.14 0.882 . . . . 0.0 111.337 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.19 -46.09 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.046 0.938 . . . . 0.0 111.301 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.46 -57.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.44 0.696 . . . . 0.0 110.29 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -64.1 -27.96 69.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.9 -22.78 64.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.418 1.008 . . . . 0.0 112.639 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.47 -45.84 24.37 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.437 -0.789 . . . . 0.0 110.04 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.93 -25.77 68.49 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.193 . . . . 0.0 113.024 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -84.68 -14.76 47.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.971 1.708 . . . . 0.0 113.948 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -147.85 86.51 1.58 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.979 1.312 . . . . 0.0 111.747 -174.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -165.0 -168.82 1.52 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.892 2.077 . . . . 0.0 110.945 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -133.89 156.44 48.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.293 1.437 . . . . 0.0 109.393 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.6 23.14 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.721 2.008 . . . . 0.0 116.362 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -156.36 11.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.51 1.924 . . . . 0.0 113.956 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 19.7 p -83.81 156.92 22.24 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.885 -1.135 . . . . 0.0 112.065 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 16.6 tt -68.78 -38.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 111.88 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.619 ' HB3' HH32 ' A' ' 5' ' ' ALY . 21.5 m-85 -72.04 -33.44 67.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.238 1.015 . . . . 0.0 113.332 -174.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -57.17 -48.35 78.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.955 0.902 . . . . 0.0 111.029 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.08 -26.31 56.37 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.7 74.25 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.338 -0.851 . . . . 0.0 112.66 171.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.29 71.54 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.434 -0.791 . . . . 0.0 112.739 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.21 -39.55 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.829 0.852 . . . . 0.0 110.767 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -57.87 -48.61 79.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.764 0.826 . . . . 0.0 111.837 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.91 -43.36 98.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.941 0.897 . . . . 0.0 112.496 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -56.67 -33.76 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.746 0.819 . . . . 0.0 113.028 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -88.03 -62.8 1.41 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.782 1.233 . . . . 0.0 111.127 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -67.63 -45.8 74.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.149 0.58 . . . . 0.0 112.286 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -84.54 -11.25 77.99 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.544 -0.587 . . . . 0.0 113.439 174.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.63 90.4 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.425 1.112 . . . . 0.0 110.748 169.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.34 92.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.635 0.774 . . . . 0.0 111.695 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.46 HG23 ' HA2' ' B' ' 140' ' ' GLY . 39.2 t -62.76 -38.62 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.202 1.001 . . . . 0.0 111.623 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.6 mt -69.74 -40.5 76.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.579 0.752 . . . . 0.0 111.403 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -65.11 -50.17 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -65.7 -32.52 74.12 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.244 1.018 . . . . 0.0 112.247 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.73 21.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.571 0.749 . . . . 0.0 111.56 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.72 -29.58 70.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.145 1.378 . . . . 0.0 111.974 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -54.61 -32.48 58.86 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.18 0.992 . . . . 0.0 113.402 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -72.52 -22.0 61.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.543 1.137 . . . . 0.0 112.809 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.41 11.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.908 1.283 . . . . 0.0 112.03 170.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.38 -31.12 72.2 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -22.85 67.08 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -110.75 -15.16 13.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.711 1.604 . . . . 0.0 113.946 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.2 86.14 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.548 1.547 . . . . 0.0 113.669 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 19.5 t -121.68 144.59 48.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.255 1.822 . . . . 0.0 110.742 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -143.92 -166.98 11.61 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.41 140.29 52.2 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.612 2.874 . . . . 0.0 110.979 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 27.1 t -168.32 -46.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.215 1.406 . . . . 0.0 111.261 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 57.1 m -98.37 146.02 26.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.889 1.276 . . . . 0.0 111.418 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.272 -1.293 . . . . 0.0 113.039 -179.055 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.84 0.352 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.39 140.5 4.1 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.715 1.15 . . . . 0.0 112.907 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -81.31 -31.94 33.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.935 0.894 . . . . 0.0 112.985 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -0.52 85.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.418 1.485 . . . . 0.0 115.865 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.03 149.83 5.97 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 127.869 2.652 . . . . 0.0 111.514 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.68 144.0 30.9 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 123.98 0.8 . . . . 0.0 112.111 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.63 119.93 17.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.59 0.756 . . . . 0.0 111.632 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.44 23.86 34.55 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 126.006 1.765 . . . . 0.0 114.172 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.595 1.958 . . . . 0.0 112.685 -169.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 69.8 13.48 8.06 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.169 1.788 . . . . 0.0 114.734 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -66.83 136.19 55.05 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.74 -1.225 . . . . 0.0 111.879 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.6 -109.71 0.56 Allowed Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.505 1.05 . . . . 0.0 111.466 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.1 m -73.26 -15.06 61.43 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m 55.0 57.69 5.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.129 1.771 . . . . 0.0 114.546 170.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.95 79.19 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.039 1.305 . . . . 0.0 113.531 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.93 -38.08 81.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.658 1.183 . . . . 0.0 112.719 172.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.45 -17.46 60.14 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.079 0.951 . . . . 0.0 112.96 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 71.0 mt -76.81 -27.19 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.473 1.109 . . . . 0.0 111.154 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.18 -52.64 53.65 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.529 -0.732 . . . . 0.0 109.882 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.0 -41.45 99.58 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.186 0.594 . . . . 0.0 111.941 -170.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.181 0.446 . . . . 0.0 111.961 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -71.41 -29.32 64.78 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.6 m -72.76 -49.97 27.52 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.169 0.987 . . . . 0.0 110.676 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.15 -39.54 82.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.745 0.818 . . . . 0.0 112.397 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -63.04 -29.02 70.49 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.05 -34.24 43.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.687 1.131 . . . . 0.0 112.112 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.19 -31.93 72.51 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.827 1.194 . . . . 0.0 111.475 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.09 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -88.32 -13.59 40.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.195 0.998 . . . . 0.0 113.01 171.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -80.11 -20.44 45.03 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.714 -1.241 . . . . 0.0 113.171 173.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -100.3 84.29 2.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.433 1.493 . . . . 0.0 110.475 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -86.43 -5.46 59.15 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.788 1.235 . . . . 0.0 114.078 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.94 -12.15 62.48 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.298 1.428 . . . . 0.0 113.739 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 61.68 24.71 14.76 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.658 1.983 . . . . 0.0 113.175 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.64 -32.87 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.167 1.387 . . . . 0.0 112.133 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.29 -20.94 11.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.587 1.555 . . . . 0.0 112.271 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -57.62 -21.81 41.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.097 1.359 . . . . 0.0 114.134 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -132.47 155.47 81.22 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.203 1.801 . . . . 0.0 112.022 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.45 146.21 67.56 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.749 3.633 . . . . 0.0 112.231 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.64 125.9 89.15 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.089 0.956 . . . . 0.0 109.269 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 129.02 13.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.293 2.662 . . . . 0.0 111.893 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.39 -14.5 62.19 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.927 0.891 . . . . 0.0 113.028 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -69.97 -31.71 69.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.526 0.73 . . . . 0.0 112.004 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -88.56 -34.94 17.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.931 0.892 . . . . 0.0 112.031 172.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 t -128.89 79.36 74.69 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.75 1.22 . . . . 0.0 110.395 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.09 -16.22 15.9 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 123.262 2.641 . . . . 0.0 113.259 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -93.72 1.3 56.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.423 1.089 . . . . 0.0 113.115 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -55.68 -41.56 73.89 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.208 1.003 . . . . 0.0 112.512 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 mt -75.29 -19.61 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.194 1.397 . . . . 0.0 113.324 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.75 -19.54 28.96 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.743 1.217 . . . . 0.0 112.853 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -102.63 -28.6 12.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.637 1.175 . . . . 0.0 112.876 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.4 mm -114.57 120.81 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.626 1.57 . . . . 0.0 110.033 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -80.57 -26.39 37.97 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -130.92 63.59 70.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.886 1.674 . . . . 0.0 111.674 -177.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.94 129.19 16.99 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.615 2.876 . . . . 0.0 110.834 -172.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 17.5 ttt -161.87 154.98 20.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.745 1.218 . . . . 0.0 112.471 -169.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -151.43 179.15 8.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.826 2.05 . . . . 0.0 111.833 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.98 -32.57 66.21 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.31 -39.48 94.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.38 0.991 . . . . 0.0 111.471 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.1 m -66.19 -40.83 90.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.201 1.0 . . . . 0.0 111.325 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 80.4 mtp -60.5 -49.14 78.75 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.42 0.555 . . . . 0.0 111.519 171.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -59.01 -42.34 89.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.035 0.934 . . . . 0.0 112.498 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.97 -47.05 78.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.462 1.105 . . . . 0.0 111.906 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.71 -35.76 78.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.072 0.549 . . . . 0.0 112.244 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.94 -43.87 56.85 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.408 1.083 . . . . 0.0 111.913 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.63 -16.82 64.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.031 0.933 . . . . 0.0 113.389 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 -5.71 28.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.465 1.506 . . . . 0.0 113.369 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 74.34 37.1 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.315 2.646 . . . . 0.0 114.372 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -80.66 -15.47 56.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.659 1.183 . . . . 0.0 113.447 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -89.17 104.27 16.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.175 0.99 . . . . 0.0 111.407 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.34 -1.86 24.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.478 1.511 . . . . 0.0 112.886 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -145.1 139.34 27.27 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.07 1.748 . . . . 0.0 109.391 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -64.04 -25.37 68.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.735 0.814 . . . . 0.0 111.825 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -62.28 -40.24 95.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.36 1.064 . . . . 0.0 112.712 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.04 -36.04 56.37 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.706 0.802 . . . . 0.0 112.039 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -64.31 -39.15 93.34 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.578 1.151 . . . . 0.0 111.906 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.32 -41.06 70.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.645 1.178 . . . . 0.0 111.658 174.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -64.92 -36.18 83.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.039 -1.038 . . . . 0.0 113.339 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -71.38 -22.87 61.82 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.82 -43.37 65.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.389 0.995 . . . . 0.0 109.808 169.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -59.0 -32.42 69.68 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.609 0.763 . . . . 0.0 112.262 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.67 -41.35 99.03 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.903 0.881 . . . . 0.0 112.154 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.01 -43.82 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.536 -0.727 . . . . 0.0 110.621 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.77 -53.98 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.843 0.857 . . . . 0.0 110.673 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -66.29 -35.5 80.56 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.15 -30.72 70.56 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.996 173.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 46.3 t -73.52 -47.99 36.66 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.551 0.614 . . . . 0.0 111.435 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.5 -27.52 67.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.348 1.059 . . . . 0.0 112.428 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -73.69 -19.69 60.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.267 1.427 . . . . 0.0 114.284 171.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -126.39 56.76 1.44 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.97 1.708 . . . . 0.0 112.376 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -166.73 152.23 8.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.49 1.516 . . . . 0.0 112.068 173.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.53 157.11 22.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.341 1.056 . . . . 0.0 109.754 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -64.7 -11.29 34.3 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -172.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -109.48 1.08 19.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.667 1.587 . . . . 0.0 114.335 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 25.4 p -85.95 158.59 19.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.279 0.945 . . . . 0.0 112.435 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.3 tt -60.41 -42.0 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.945 0.898 . . . . 0.0 111.492 170.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -69.03 -36.45 77.76 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.734 1.213 . . . . 0.0 112.333 -172.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.84 -52.86 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.646 0.778 . . . . 0.0 110.571 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -37.35 87.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.695 1.198 . . . . 0.0 111.465 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.79 -34.88 71.98 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.102 0.865 . . . . 0.0 112.942 175.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.07 68.56 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.565 -0.709 . . . . 0.0 112.686 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.9 -41.67 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.481 0.582 . . . . 0.0 110.316 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -37.65 88.33 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.35 1.06 . . . . 0.0 112.195 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.38 -45.57 90.48 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.882 0.873 . . . . 0.0 111.931 169.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -57.17 -34.44 68.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.87 0.868 . . . . 0.0 112.834 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -83.48 -65.27 1.03 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.292 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.71 -44.14 74.52 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.53 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.61 -16.86 72.21 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 118.499 0.59 . . . . 0.0 113.251 175.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.65 87.82 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 118.158 0.979 . . . . 0.0 110.847 169.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.34 92.51 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.417 0.687 . . . . 0.0 111.892 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.53 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.3 t -61.92 -38.95 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.106 0.963 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.23 -39.59 71.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.637 0.775 . . . . 0.0 111.256 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -64.93 -48.52 73.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.232 1.013 . . . . 0.0 112.487 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -64.03 -32.02 73.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.765 0.826 . . . . 0.0 112.285 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.03 -22.61 19.04 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.263 1.025 . . . . 0.0 112.93 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -60.02 -32.75 71.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.198 0.999 . . . . 0.0 111.801 169.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -57.64 -30.41 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.793 1.237 . . . . 0.0 113.482 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -71.11 -25.11 62.45 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 112.26 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.15 -43.9 11.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.935 1.294 . . . . 0.0 111.921 170.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -31.03 71.78 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -23.86 66.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -109.33 -16.42 14.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.612 1.565 . . . . 0.0 114.015 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.65 11.81 68.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 126.249 1.88 . . . . 0.0 114.032 174.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 33.5 p -69.95 157.7 36.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.869 1.668 . . . . 0.0 113.835 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -161.45 -171.78 27.95 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.48 1.514 . . . . 0.0 113.249 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -69.25 138.74 40.19 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.479 2.786 . . . . 0.0 110.906 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 9.4 t -74.6 -24.38 58.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 64.0 p -167.96 147.15 4.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.531 1.932 . . . . 0.0 111.165 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 C-N-CA 125.118 1.342 . . . . 0.0 112.891 179.169 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.322 0.106 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.33 30.05 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 124.812 1.196 . . . . 0.0 113.634 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -59.96 -40.63 89.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.657 1.183 . . . . 0.0 113.527 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.77 -24.46 76.32 Favored Glycine 0 N--CA 1.473 1.148 0 O-C-N 121.645 -0.659 . . . . 0.0 113.947 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.533 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.95 19.68 0.02 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 117.375 1.71 . . . . 0.0 117.375 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.48 -122.12 7.7 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.229 1.514 . . . . 0.0 111.577 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -155.79 131.9 10.03 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.474 1.109 . . . . 0.0 112.024 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.57 177.37 16.8 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.014 1.769 . . . . 0.0 113.096 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.751 1.62 . . . . 0.0 111.408 175.651 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.6 p -163.96 150.5 11.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.294 1.438 . . . . 0.0 111.476 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t 71.6 -1.29 2.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.246 1.819 . . . . 0.0 114.431 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.25 -108.52 1.7 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 126.238 1.875 . . . . 0.0 111.522 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -72.76 -16.26 61.64 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -108.04 103.45 12.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.841 1.656 . . . . 0.0 111.638 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.06 -34.97 1.4 Allowed Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.922 1.249 . . . . 0.0 113.423 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.14 -39.85 83.65 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.414 1.086 . . . . 0.0 112.695 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.0 -22.17 64.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.739 0.816 . . . . 0.0 112.752 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.39 -34.52 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.064 0.946 . . . . 0.0 110.517 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.86 -46.17 91.64 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.875 -0.516 . . . . 0.0 110.194 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.88 -45.75 70.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.909 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -64.75 -32.98 74.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.619 0.645 . . . . 0.0 112.529 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -77.26 -22.63 51.86 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.7 m -87.75 -38.06 16.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.644 1.178 . . . . 0.0 112.217 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.59 -40.95 76.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.546 1.066 . . . . 0.0 112.902 -176.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.35 -29.71 70.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 174.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.35 -15.95 60.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.422 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.97 -37.3 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.591 1.087 . . . . 0.0 109.546 169.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -66.13 -32.03 73.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.665 0.786 . . . . 0.0 112.375 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.04 -15.08 63.5 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -85.74 -6.83 59.07 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.6 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -109.63 78.1 1.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.479 1.912 . . . . 0.0 110.156 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -82.45 -7.18 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.055 1.342 . . . . 0.0 114.09 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.42 65.08 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.122 1.82 . . . . 0.0 113.889 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 62.4 26.35 15.72 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.457 1.903 . . . . 0.0 113.356 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.0 mt -74.26 -31.74 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.939 1.695 . . . . 0.0 112.25 -173.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -113.47 -16.16 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.824 1.65 . . . . 0.0 112.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -61.12 -23.96 65.9 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.85 1.26 . . . . 0.0 113.744 170.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.52 152.13 79.45 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.699 1.6 . . . . 0.0 112.066 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.88 151.76 68.47 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.861 3.707 . . . . 0.0 112.996 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.55 124.97 86.36 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 124.369 1.068 . . . . 0.0 109.766 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.44 117.19 4.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.282 2.655 . . . . 0.0 110.837 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.4 mt -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.6 m -69.8 -26.91 64.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.02 0.928 . . . . 0.0 112.429 170.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -92.62 -35.19 13.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.268 1.027 . . . . 0.0 111.84 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.11 82.44 66.1 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.981 1.312 . . . . 0.0 110.556 -176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.32 -12.69 18.95 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.283 2.655 . . . . 0.0 112.849 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -99.45 13.1 34.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.811 1.644 . . . . 0.0 112.912 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.88 -41.15 81.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.797 -1.189 . . . . 0.0 112.148 -176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.27 -18.96 59.96 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.211 1.404 . . . . 0.0 113.405 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.24 -27.43 59.49 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.063 0.945 . . . . 0.0 112.399 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -94.72 -33.74 12.81 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.067 0.947 . . . . 0.0 112.806 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.0 mm -118.56 113.01 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.195 1.398 . . . . 0.0 111.25 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -76.15 -27.66 57.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -133.45 81.61 54.39 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 125.009 1.323 . . . . 0.0 111.462 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.63 150.08 21.43 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.048 3.165 . . . . 0.0 111.491 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 41.9 ttm -164.83 157.13 16.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.067 1.347 . . . . 0.0 113.126 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -151.37 170.21 20.1 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.534 2.334 . . . . 0.0 110.571 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.33 -26.14 67.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.11 -41.57 90.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.125 0.57 . . . . 0.0 111.601 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 94.9 m -65.24 -41.09 94.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.95 0.9 . . . . 0.0 111.061 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.0 mmm -59.57 -49.91 75.92 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.462 0.574 . . . . 0.0 111.202 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.56 -44.9 81.38 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.6 -44.08 91.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.685 0.794 . . . . 0.0 111.744 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.87 -39.25 88.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.955 0.902 . . . . 0.0 112.012 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.24 -43.69 70.06 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.841 -1.162 . . . . 0.0 111.699 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.15 -11.04 60.44 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.221 1.008 . . . . 0.0 113.127 174.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.71 10.87 32.66 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.476 1.91 . . . . 0.0 112.901 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 63.44 22.93 13.47 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.128 1.771 . . . . 0.0 113.923 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.39 -27.01 64.94 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.298 1.039 . . . . 0.0 113.247 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -90.53 106.72 18.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.48 1.112 . . . . 0.0 111.306 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.28 -22.68 13.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.888 1.275 . . . . 0.0 112.829 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.56 150.65 51.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.514 1.926 . . . . 0.0 109.618 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.29 -24.37 66.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.835 0.454 . . . . 0.0 112.16 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.72 -44.48 73.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.164 1.385 . . . . 0.0 112.547 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 -33.07 64.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.644 0.778 . . . . 0.0 112.414 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -69.12 -35.7 76.71 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.088 0.955 . . . . 0.0 111.518 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.44 -36.09 63.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.339 1.455 . . . . 0.0 112.056 174.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -78.35 -31.97 48.84 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.07 -29.95 65.96 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.635 -0.665 . . . . 0.0 111.147 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -67.59 -43.45 80.49 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.072 -1.017 . . . . 0.0 110.283 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -58.21 -30.49 66.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.244 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.5 -44.79 77.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.193 0.997 . . . . 0.0 112.355 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.38 -39.9 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.988 0.915 . . . . 0.0 110.978 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.3 -60.33 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.489 0.715 . . . . 0.0 110.82 172.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 84.7 p -65.85 -36.18 82.74 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -74.91 -8.17 55.68 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.54 -47.54 8.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.405 0.682 . . . . 0.0 109.663 169.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.11 -25.29 67.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.341 1.057 . . . . 0.0 112.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -76.33 -15.43 59.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.914 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -144.03 81.1 1.67 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 111.183 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.42 169.15 4.47 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.492 1.917 . . . . 0.0 111.336 174.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 158.81 15.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.322 1.049 . . . . 0.0 111.415 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -77.56 10.14 2.85 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -128.77 9.09 5.84 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.133 1.773 . . . . 0.0 113.596 -172.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 66.9 p -105.66 162.67 13.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.911 1.284 . . . . 0.0 113.555 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -66.15 -40.56 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 111.277 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.533 ' HB3' HH32 ' A' ' 5' ' ' ALY . 39.7 m-85 -68.51 -38.18 80.7 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.272 1.029 . . . . 0.0 112.939 -170.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.48 -49.77 72.31 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.121 0.568 . . . . 0.0 110.638 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -62.06 -33.17 73.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.599 1.16 . . . . 0.0 112.922 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.17 -35.01 78.86 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.542 1.065 . . . . 0.0 112.871 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.02 70.19 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.505 -0.747 . . . . 0.0 112.425 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.93 -40.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.108 0.563 . . . . 0.0 110.761 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -63.01 -42.83 99.92 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.884 0.874 . . . . 0.0 111.779 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.8 -45.33 92.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.233 1.013 . . . . 0.0 112.461 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -58.54 -32.89 69.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.948 0.899 . . . . 0.0 113.228 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -82.55 -63.08 1.44 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.622 1.169 . . . . 0.0 111.359 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.68 -49.85 60.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.84 0.856 . . . . 0.0 112.469 -170.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.62 -9.68 85.34 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.423 -0.654 . . . . 0.0 113.605 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.78 -33.81 88.23 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 118.399 1.1 . . . . 0.0 111.189 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.3 -41.88 72.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.849 0.86 . . . . 0.0 111.924 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.405 HG23 ' HA2' ' B' ' 140' ' ' GLY . 85.0 t -60.03 -38.65 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.461 1.104 . . . . 0.0 111.245 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.9 mt -71.2 -31.04 67.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.132 0.573 . . . . 0.0 111.871 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -45.84 49.73 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.047 0.839 . . . . 0.0 113.14 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.13 -23.56 67.17 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.756 1.223 . . . . 0.0 112.637 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.4 -32.02 12.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.619 0.767 . . . . 0.0 112.569 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.67 -39.27 87.82 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.467 1.107 . . . . 0.0 112.657 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -64.11 -18.29 64.26 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.87 -20.53 58.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.412 1.085 . . . . 0.0 112.712 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.99 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.931 1.292 . . . . 0.0 112.424 171.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.6 -31.93 73.23 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.432 0.693 . . . . 0.0 112.846 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -25.13 67.76 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 175.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.72 -29.49 64.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.42 1.088 . . . . 0.0 112.759 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.82 -40.8 7.47 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.918 1.247 . . . . 0.0 111.966 173.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 4.4 t 64.67 -169.53 0.2 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.206 1.803 . . . . 0.0 113.337 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 178.04 -178.86 48.56 Favored Glycine 0 CA--C 1.539 1.578 0 O-C-N 120.873 -1.142 . . . . 0.0 114.773 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.58 -177.44 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.636 3.557 . . . . 0.0 111.717 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 80.4 p -144.76 155.18 43.4 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.968 1.307 . . . . 0.0 112.545 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 70.0 m -148.49 157.0 43.19 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.56 1.544 . . . . 0.0 111.639 -171.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 124.977 1.275 . . . . 0.0 113.664 176.863 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 119.474 -0.298 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.62 171.63 45.09 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.31 1.433 . . . . 0.0 113.327 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -144.66 150.89 38.13 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.847 1.659 . . . . 0.0 111.333 -176.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.96 21.9 34.39 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.691 1.615 . . . . 0.0 114.685 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.519 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.89 94.54 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.381 1.943 . . . . 0.0 112.34 170.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.18 150.3 28.74 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.121 1.344 . . . . 0.0 112.819 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? 64.18 2.86 1.58 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.923 2.089 . . . . 0.0 115.325 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.29 -160.25 22.33 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 126.177 1.846 . . . . 0.0 113.393 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.737 1.615 . . . . 0.0 112.418 176.585 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -74.1 -36.23 64.23 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.249 1.019 . . . . 0.0 113.51 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t 70.79 -42.57 0.53 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.482 2.713 . . . . 0.0 114.95 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -58.71 1.23 Allowed Glycine 0 N--CA 1.47 0.918 0 C-N-CA 125.859 1.695 . . . . 0.0 112.921 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 32.7 p -88.09 152.11 22.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.822 1.249 . . . . 0.0 112.714 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 34.6 m 64.44 29.3 13.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.089 1.356 . . . . 0.0 114.61 169.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.43 -30.68 56.04 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.735 1.636 . . . . 0.0 114.673 -170.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.15 -39.69 87.23 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.353 1.077 . . . . 0.0 112.828 173.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -24.34 61.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.679 0.791 . . . . 0.0 112.038 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.6 mt -68.46 -32.1 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.578 0.751 . . . . 0.0 111.072 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.64 -43.52 96.55 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.543 -0.723 . . . . 0.0 110.421 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.59 -44.19 71.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.03 0.532 . . . . 0.0 111.681 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.32 -31.41 72.02 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.91 -37.35 62.11 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 112.368 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.3 m -73.93 -47.43 37.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.158 1.383 . . . . 0.0 111.687 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.06 -36.17 76.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.214 0.916 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -71.63 -21.5 61.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.865 0.866 . . . . 0.0 112.877 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.36 -33.02 28.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.63 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.01 -32.89 74.35 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.158 1.345 . . . . 0.0 111.864 169.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -65.99 -16.13 63.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.237 1.015 . . . . 0.0 113.161 174.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -91.42 0.33 57.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.042 1.337 . . . . 0.0 112.931 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -103.33 -4.77 23.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.167 1.387 . . . . 0.0 113.621 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -105.19 99.74 9.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.787 1.635 . . . . 0.0 109.55 170.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.1 t -96.65 -0.17 48.89 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.939 1.296 . . . . 0.0 114.427 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.97 -9.71 44.76 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.186 1.374 . . . . 0.0 114.204 170.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 m120 61.39 23.47 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.516 1.926 . . . . 0.0 112.811 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 -31.93 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.739 1.616 . . . . 0.0 112.038 -173.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -112.92 -18.04 12.34 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.803 1.641 . . . . 0.0 112.135 -177.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -53.91 -25.81 22.02 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.41 1.484 . . . . 0.0 114.042 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.98 156.46 80.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.481 1.913 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.88 146.01 76.5 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.459 3.439 . . . . 0.0 111.84 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.39 126.65 92.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 123.857 0.863 . . . . 0.0 109.705 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 111.77 3.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.195 2.597 . . . . 0.0 110.669 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.84 -22.65 64.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.007 0.523 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.49 -17.96 48.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.107 1.363 . . . . 0.0 113.949 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -123.19 7.11 9.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.236 1.414 . . . . 0.0 113.747 170.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.5 t -149.51 73.17 9.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.974 1.709 . . . . 0.0 109.418 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.27 -12.51 15.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.926 2.418 . . . . 0.0 112.906 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.79 5.2 51.06 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.305 1.442 . . . . 0.0 113.142 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.03 -41.08 77.93 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.05 -1.031 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -74.33 -20.67 60.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.148 1.379 . . . . 0.0 113.343 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.94 -15.06 45.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.819 1.248 . . . . 0.0 112.891 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -108.28 -32.16 7.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.829 1.252 . . . . 0.0 113.003 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.11 116.5 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.475 1.51 . . . . 0.0 109.759 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -77.8 -28.35 50.38 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.13 67.38 80.61 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.898 1.679 . . . . 0.0 111.06 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.62 132.27 21.63 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.728 2.952 . . . . 0.0 110.77 -171.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.02 155.25 25.04 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -169.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -156.48 177.87 10.97 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.678 2.391 . . . . 0.0 110.984 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -58.89 -28.0 65.75 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.19 -39.36 89.65 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.626 1.103 . . . . 0.0 111.613 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.4 m -65.96 -42.11 90.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 0.0 111.157 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -62.12 -46.5 88.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.765 0.711 . . . . 0.0 111.311 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.8 -44.11 81.6 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.717 -0.614 . . . . 0.0 112.352 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -65.12 -42.51 93.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.028 0.931 . . . . 0.0 112.446 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -60.02 -40.25 88.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.052 0.541 . . . . 0.0 112.019 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.12 -40.32 71.5 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.149 0.98 . . . . 0.0 111.959 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.42 -18.78 62.48 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.542 1.137 . . . . 0.0 112.999 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.93 4.3 39.94 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.059 1.744 . . . . 0.0 113.227 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 64.94 23.81 12.62 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.707 2.003 . . . . 0.0 113.717 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -69.4 -21.68 63.75 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 112.831 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 103.28 14.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.767 1.227 . . . . 0.0 110.92 173.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.21 -15.01 18.25 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.246 1.418 . . . . 0.0 113.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -140.4 143.27 35.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.296 2.238 . . . . 0.0 110.002 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -67.68 -23.77 65.34 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.15 -39.65 93.26 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.666 -0.647 . . . . 0.0 112.709 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.02 -27.96 54.76 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.318 0.963 . . . . 0.0 112.483 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.09 -38.41 78.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.597 0.759 . . . . 0.0 111.719 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.71 -36.74 67.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.823 1.249 . . . . 0.0 112.027 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.64 -31.57 62.01 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.31 -27.43 67.16 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.612 -0.68 . . . . 0.0 112.359 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -71.26 -43.61 66.88 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.895 0.77 . . . . 0.0 110.857 169.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.53 -32.02 69.94 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.687 -0.633 . . . . 0.0 112.516 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.37 -45.43 93.21 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.871 1.268 . . . . 0.0 111.833 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.97 -44.37 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.783 0.833 . . . . 0.0 110.75 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.73 -57.95 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.709 0.804 . . . . 0.0 110.494 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.1 p -65.86 -34.16 77.5 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.01 -21.11 66.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.034 -1.041 . . . . 0.0 113.752 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -74.54 -49.08 23.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.797 0.726 . . . . 0.0 110.962 171.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.11 -36.47 84.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.144 1.378 . . . . 0.0 111.72 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -67.67 -17.22 64.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.275 1.43 . . . . 0.0 114.571 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -111.11 2.28 17.79 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.99 156.22 36.82 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.565 -1.334 . . . . 0.0 111.383 -170.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.08 175.84 9.69 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.682 0.753 . . . . 0.0 111.943 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -0.81 10.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -170.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.31 17.47 0.94 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 69.8 p -84.91 158.22 20.63 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.23 -0.919 . . . . 0.0 112.458 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.64 -43.88 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.308 1.043 . . . . 0.0 112.115 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.519 ' HB3' HH32 ' A' ' 5' ' ' ALY . 51.7 m-85 -68.75 -39.76 80.14 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.737 0.815 . . . . 0.0 111.793 -172.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -56.71 -49.84 73.96 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.811 . . . . 0.0 110.5 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -70.94 -26.91 63.39 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.3 82.36 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.432 1.014 . . . . 0.0 112.171 170.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.55 71.32 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.485 -0.76 . . . . 0.0 112.268 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.34 -42.93 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.277 0.631 . . . . 0.0 110.603 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -62.02 -44.14 97.35 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.014 0.926 . . . . 0.0 111.82 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -58.37 -44.08 88.72 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.096 0.862 . . . . 0.0 112.217 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -57.68 -30.88 65.83 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -87.69 -62.49 1.48 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.873 1.269 . . . . 0.0 111.351 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.88 -48.09 78.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.868 0.867 . . . . 0.0 112.044 -171.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.449 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -88.63 -9.57 68.7 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.697 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.82 92.53 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 118.561 1.18 . . . . 0.0 110.65 169.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.12 97.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.771 0.828 . . . . 0.0 111.875 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.449 HG23 ' HA2' ' B' ' 140' ' ' GLY . 47.5 t -63.38 -35.73 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.478 1.111 . . . . 0.0 111.825 -177.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.8 mt -73.31 -39.23 65.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.535 0.734 . . . . 0.0 111.5 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -68.57 -39.65 80.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.04 0.936 . . . . 0.0 113.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.0 -33.79 68.37 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.429 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.88 -26.57 25.55 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.749 -0.594 . . . . 0.0 111.453 -170.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -59.61 -32.18 70.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.83 1.652 . . . . 0.0 111.662 169.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -59.15 -33.22 70.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.934 0.894 . . . . 0.0 113.023 175.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.22 -20.58 61.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.839 1.256 . . . . 0.0 112.789 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.84 -40.2 13.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.151 0.98 . . . . 0.0 112.613 171.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.3 -31.4 69.85 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.05 67.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 8.8 mtm -67.75 -22.3 65.23 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.47 1.108 . . . . 0.0 112.846 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -103.11 25.89 25.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.703 2.097 . . . . 0.0 113.588 175.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 7.7 t -153.36 179.42 8.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.048 1.339 . . . . 0.0 111.981 -173.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -171.05 177.52 43.97 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.913 1.244 . . . . 0.0 114.532 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.94 171.23 18.55 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.474 3.449 . . . . 0.0 112.076 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 67.2 m -124.2 130.63 52.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.086 1.354 . . . . 0.0 110.802 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 3.6 t 67.07 -171.48 0.19 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.948 1.699 . . . . 0.0 113.155 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.468 1.509 . . . . 0.0 112.825 -179.117 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.265 0.078 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.46 30.25 0.28 Allowed Glycine 0 N--CA 1.476 1.362 0 N-CA-C 115.472 0.949 . . . . 0.0 115.472 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? 60.1 70.79 0.61 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.547 1.939 . . . . 0.0 111.459 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.43 -164.65 53.5 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.568 1.08 . . . . 0.0 112.059 -176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.59 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 148.91 7.71 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 126.552 2.025 . . . . 0.0 112.283 175.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.55 109.86 3.37 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 124.186 0.898 . . . . 0.0 111.212 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -83.96 171.44 12.99 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.631 1.172 . . . . 0.0 112.03 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.06 157.67 46.17 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.206 0.907 . . . . 0.0 112.141 169.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.331 0 C-N-CA 125.985 1.714 . . . . 0.0 111.81 -169.883 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.442 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m 72.92 165.25 0.29 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.111 2.165 . . . . 0.0 113.391 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -138.17 121.31 16.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.693 1.197 . . . . 0.0 109.945 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 -129.18 14.21 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.993 0.806 . . . . 0.0 111.928 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 74.6 m -138.01 174.39 10.61 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.136 1.774 . . . . 0.0 111.078 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 21.6 t -151.73 158.6 43.59 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.778 -1.201 . . . . 0.0 111.343 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.09 92.92 Favored Glycine 0 N--CA 1.47 0.961 0 O-C-N 121.274 -0.891 . . . . 0.0 112.752 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.52 -38.8 85.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.244 1.018 . . . . 0.0 112.402 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -22.06 61.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.702 1.201 . . . . 0.0 112.446 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.29 -38.74 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.91 0.884 . . . . 0.0 111.524 171.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.21 -45.09 65.09 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.938 0.79 . . . . 0.0 110.758 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.42 -27.13 68.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.502 0.721 . . . . 0.0 112.362 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -68.02 -50.55 54.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.085 0.857 . . . . 0.0 110.214 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.86 -39.93 86.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.68 1.192 . . . . 0.0 111.964 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -70.33 -49.38 49.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.809 1.244 . . . . 0.0 111.633 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.1 -37.68 80.7 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.614 1.097 . . . . 0.0 112.349 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.69 -19.43 64.38 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -88.9 -29.55 19.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.0 0.92 . . . . 0.0 112.022 173.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -30.91 71.47 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.155 1.343 . . . . 0.0 111.653 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -68.71 -18.22 64.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -82.21 -0.44 45.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.007 . . . . 0.0 112.629 172.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -106.13 2.87 27.42 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.599 1.56 . . . . 0.0 113.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -122.91 101.31 7.36 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.877 1.671 . . . . 0.0 109.887 170.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t -102.6 -0.08 32.52 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.91 1.284 . . . . 0.0 114.366 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.69 -10.86 54.98 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.196 1.379 . . . . 0.0 114.03 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.3 28.11 16.21 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.626 1.97 . . . . 0.0 113.455 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.91 -32.05 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.178 1.391 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -115.06 -15.63 11.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.574 1.549 . . . . 0.0 111.885 -177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 44.9 m -53.79 -27.76 31.05 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.31 150.94 66.03 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 126.457 1.903 . . . . 0.0 112.197 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.31 153.44 78.26 Favored 'Trans proline' 0 CA--C 1.539 0.755 1 C-N-CA 125.409 4.072 . . . . 0.0 112.738 -174.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 46.0 t -59.99 126.88 84.74 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.951 0.9 . . . . 0.0 110.008 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 111.6 2.96 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.29 2.66 . . . . 0.0 110.459 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.71 -18.87 62.8 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -59.53 -18.37 39.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.076 1.35 . . . . 0.0 113.815 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.93 8.56 10.49 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.277 1.431 . . . . 0.0 113.761 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 43.7 t -148.35 90.79 4.89 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.646 1.578 . . . . 0.0 110.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.63 -5.36 12.44 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.19 2.593 . . . . 0.0 113.006 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.21 6.28 26.54 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.647 1.579 . . . . 0.0 113.78 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.69 -43.6 85.24 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.831 -1.168 . . . . 0.0 112.25 -172.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.56 -18.97 61.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.21 1.404 . . . . 0.0 113.55 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.43 -12.54 59.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.501 1.12 . . . . 0.0 112.934 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -114.67 -26.25 7.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.839 1.256 . . . . 0.0 113.658 173.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mm -116.06 108.8 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.46 1.504 . . . . 0.0 110.009 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.91 -26.82 43.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.647 1.179 . . . . 0.0 113.54 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -129.17 72.51 81.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.086 1.754 . . . . 0.0 110.854 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.2 134.85 21.76 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.338 2.692 . . . . 0.0 111.105 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.419 ' HB2' HD23 ' B' ' 114' ' ' LEU . 2.9 tpt -147.53 159.28 43.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.011 1.324 . . . . 0.0 113.433 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -159.36 160.04 34.54 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.017 1.727 . . . . 0.0 111.348 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.53 -33.49 63.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.65 0.78 . . . . 0.0 112.88 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.05 -43.5 98.46 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.009 0.523 . . . . 0.0 111.405 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -64.22 -43.53 94.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.729 0.812 . . . . 0.0 111.246 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.8 mtp -61.52 -45.7 93.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.697 0.681 . . . . 0.0 112.008 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.82 -47.55 84.41 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.521 -0.737 . . . . 0.0 112.405 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -60.72 -43.42 97.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.706 0.803 . . . . 0.0 111.812 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.46 -40.68 97.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.829 0.852 . . . . 0.0 112.481 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.54 -41.79 79.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.23 -0.919 . . . . 0.0 111.651 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.8 -9.7 52.54 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.786 0.834 . . . . 0.0 113.101 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.45 8.48 35.67 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.18 1.792 . . . . 0.0 113.21 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 64.54 25.38 13.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.695 1.998 . . . . 0.0 114.268 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -64.36 -26.11 68.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.677 1.191 . . . . 0.0 113.607 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -91.77 103.18 15.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.479 1.112 . . . . 0.0 111.868 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.92 -10.82 22.29 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.053 1.341 . . . . 0.0 113.166 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -144.05 146.53 32.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.022 1.729 . . . . 0.0 110.028 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.49 -25.84 67.66 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 122.079 -0.388 . . . . 0.0 111.705 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.76 -22.35 66.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.786 1.634 . . . . 0.0 113.892 176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -92.36 -38.96 11.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.5 1.12 . . . . 0.0 111.537 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.66 -39.82 91.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.219 1.007 . . . . 0.0 112.243 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.73 -35.16 76.77 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.11 0.964 . . . . 0.0 111.719 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -79.16 -32.85 44.43 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.255 1.422 . . . . 0.0 112.227 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.25 -28.38 67.17 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.402 -0.811 . . . . 0.0 112.158 170.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.99 -42.47 66.43 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.777 0.717 . . . . 0.0 110.776 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -56.1 -34.54 66.13 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.905 -0.497 . . . . 0.0 111.626 172.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' B' ' 88' ' ' MET . 9.6 tp -64.08 -39.36 93.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.2 1.4 . . . . 0.0 112.635 177.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.23 -44.33 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.907 0.883 . . . . 0.0 110.579 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.83 -55.28 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.808 0.843 . . . . 0.0 110.577 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.7 p -64.83 -31.08 72.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.89 -32.01 73.27 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.07 -1.019 . . . . 0.0 112.76 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.3 t -71.64 -24.49 61.87 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.167 -0.958 . . . . 0.0 112.48 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.07 2.52 51.75 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.172 1.389 . . . . 0.0 112.668 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -118.33 -18.26 9.27 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.941 1.697 . . . . 0.0 114.885 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -139.55 82.59 1.89 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.403 1.481 . . . . 0.0 110.787 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -171.42 -179.03 2.48 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.21 1.804 . . . . 0.0 112.333 -169.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.71 158.11 26.17 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.826 1.65 . . . . 0.0 108.84 169.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.72 -2.17 19.29 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -124.02 6.95 8.59 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.429 1.492 . . . . 0.0 114.01 -172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 33.0 p -83.57 157.33 22.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.06 0.933 . . . . 0.0 113.355 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.9 tt -60.29 -40.62 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.292 1.037 . . . . 0.0 110.751 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.59 ' HB3' HH32 ' A' ' 5' ' ' ALY . 31.8 m-85 -66.35 -43.13 86.9 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.039 1.336 . . . . 0.0 112.41 -174.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -56.95 -48.71 77.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.292 1.037 . . . . 0.0 110.99 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -73.55 -26.37 60.82 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.1 79.84 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.73 1.15 . . . . 0.0 112.257 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.18 70.61 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.472 -0.768 . . . . 0.0 112.643 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.72 -40.73 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 0.0 110.577 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.3 -43.53 98.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 112.073 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.81 -44.57 93.93 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.827 0.851 . . . . 0.0 112.378 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -59.27 -31.69 69.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.912 0.885 . . . . 0.0 113.147 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -87.93 -64.25 1.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.068 1.347 . . . . 0.0 111.136 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.19 -45.83 65.82 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.371 0.668 . . . . 0.0 112.23 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' GLY . . . . . 0.466 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.29 -12.24 82.41 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 118.444 0.566 . . . . 0.0 113.12 173.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.93 -37.3 94.44 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.35 94.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.726 0.763 . . . . 0.0 112.147 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.466 HG23 ' HA2' ' B' ' 140' ' ' GLY . 42.3 t -63.78 -36.8 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.159 0.983 . . . . 0.0 111.874 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.45 -38.17 68.34 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.672 0.789 . . . . 0.0 111.55 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -66.59 -48.7 68.72 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.245 1.018 . . . . 0.0 112.963 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.23 -35.88 82.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.373 1.069 . . . . 0.0 112.382 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.76 -26.29 22.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.744 0.818 . . . . 0.0 112.509 -169.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.11 -28.53 67.94 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.443 1.497 . . . . 0.0 112.198 169.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -63.11 -28.25 69.95 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.235 -0.915 . . . . 0.0 113.136 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.91 -21.95 62.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.244 1.018 . . . . 0.0 112.688 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 -41.71 11.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.81 1.244 . . . . 0.0 112.775 173.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.39 -27.54 63.4 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -25.7 68.47 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.138 -0.976 . . . . 0.0 113.518 174.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 3.7 mtm -69.27 -21.76 63.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.501 1.12 . . . . 0.0 112.893 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -111.78 24.62 14.64 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 126.721 2.105 . . . . 0.0 113.586 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 7.6 t -156.87 -173.17 4.34 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.903 1.281 . . . . 0.0 111.843 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 172.84 -177.45 45.35 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.072 1.32 . . . . 0.0 114.114 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.41 157.74 55.85 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 124.006 3.137 . . . . 0.0 111.778 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 20.3 m -79.6 15.54 1.3 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.229 1.412 . . . . 0.0 113.916 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 9.6 t -158.96 165.18 34.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.128 1.771 . . . . 0.0 111.38 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 C-N-CA 125.382 1.468 . . . . 0.0 112.943 -177.003 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.919 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -62.71 -42.19 99.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.6 1.16 . . . . 0.0 112.55 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.53 -35.85 82.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.655 0.782 . . . . 0.0 111.342 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.48 -33.91 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.892 0.877 . . . . 0.0 112.091 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.56 -45.74 77.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.191 0.905 . . . . 0.0 110.52 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.31 -35.28 79.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.269 0.627 . . . . 0.0 111.414 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -59.06 -52.54 65.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.523 0.729 . . . . 0.0 110.857 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -70.46 -30.41 67.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.623 0.769 . . . . 0.0 112.868 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.5 m -72.15 -43.28 64.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.411 1.085 . . . . 0.0 111.089 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.36 -36.65 78.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.128 0.876 . . . . 0.0 111.998 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.82 -22.66 64.23 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -79.62 -39.04 32.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.299 0.954 . . . . 0.0 111.413 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.87 -32.05 73.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.704 1.138 . . . . 0.0 112.136 172.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.89 -19.73 65.98 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -89.44 5.94 43.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.183 0.993 . . . . 0.0 112.885 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -102.34 -4.06 26.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 113.062 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -117.49 91.81 3.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.134 1.774 . . . . 0.0 110.183 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -92.46 -3.12 55.68 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.796 1.239 . . . . 0.0 114.255 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.87 -10.59 56.27 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.182 1.372 . . . . 0.0 114.182 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 56.69 31.4 19.24 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.323 1.849 . . . . 0.0 113.328 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.46 -32.03 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.888 1.275 . . . . 0.0 111.722 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.36 -19.62 12.55 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.821 1.648 . . . . 0.0 112.046 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.8 m -49.29 -27.01 3.44 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.03 1.732 . . . . 0.0 114.221 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.6 158.57 75.25 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 126.933 2.093 . . . . 0.0 111.508 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.74 149.09 90.23 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.537 3.491 . . . . 0.0 111.946 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.93 125.82 88.69 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.839 . . . . 0.0 109.63 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.06 110.68 2.88 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.276 2.651 . . . . 0.0 110.592 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -69.11 -21.84 64.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.033 0.533 . . . . 0.0 112.27 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.96 -18.69 58.64 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 113.946 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.92 2.7 11.04 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.981 1.312 . . . . 0.0 114.132 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 17.9 t -148.03 81.93 8.01 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.643 1.577 . . . . 0.0 109.746 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.26 -15.69 15.9 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.919 2.412 . . . . 0.0 112.965 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -94.31 3.39 55.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.296 1.438 . . . . 0.0 113.496 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.02 -41.67 78.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.971 -1.08 . . . . 0.0 112.375 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.88 -19.48 58.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.986 1.314 . . . . 0.0 113.282 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.11 -17.79 36.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.716 1.206 . . . . 0.0 112.929 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.91 -26.59 11.15 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.538 1.135 . . . . 0.0 113.592 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.34 116.6 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.108 1.363 . . . . 0.0 109.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -72.24 -29.5 63.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -142.66 75.39 18.57 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.445 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.56 141.54 31.4 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.106 2.537 . . . . 0.0 111.437 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 67.7 mmm -149.83 168.16 24.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.808 2.043 . . . . 0.0 111.509 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -167.38 167.9 13.54 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.221 2.208 . . . . 0.0 111.262 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.39 -27.52 69.06 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -69.59 -40.45 76.67 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.816 0.735 . . . . 0.0 110.767 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 29.5 m -68.21 -37.87 81.34 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 111.304 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 58.6 mmm -55.22 -54.08 47.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.752 0.821 . . . . 0.0 111.041 170.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -58.28 -46.79 85.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.881 0.873 . . . . 0.0 113.292 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.938 0.895 . . . . 0.0 111.726 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.73 -41.15 90.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.614 0.766 . . . . 0.0 111.702 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.02 -45.46 77.46 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.88 -1.138 . . . . 0.0 111.686 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -66.55 -15.2 63.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.095 0.958 . . . . 0.0 113.357 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.71 14.35 32.17 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.164 1.786 . . . . 0.0 113.103 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 62.36 30.34 17.38 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.934 1.694 . . . . 0.0 113.45 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.14 -15.63 55.31 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 113.303 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -113.73 100.98 8.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.194 1.398 . . . . 0.0 111.696 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -3.95 21.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.647 1.579 . . . . 0.0 113.133 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -142.7 143.06 32.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.174 1.79 . . . . 0.0 109.945 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -67.02 -26.42 66.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.883 0.473 . . . . 0.0 112.222 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.71 -43.04 80.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.156 1.382 . . . . 0.0 112.655 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -72.87 -40.51 65.57 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.657 0.662 . . . . 0.0 111.812 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.84 -36.24 82.58 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.981 0.912 . . . . 0.0 111.959 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.36 -44.03 65.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 111.79 172.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.2 -34.91 75.63 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.011 -1.056 . . . . 0.0 113.744 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -70.71 -29.1 65.28 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.521 -0.737 . . . . 0.0 112.661 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.89 -44.83 79.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.243 0.929 . . . . 0.0 110.826 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -57.96 -38.71 76.53 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.752 -0.593 . . . . 0.0 111.918 172.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.86 -45.15 95.67 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 111.642 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.14 -44.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.619 1.167 . . . . 0.0 111.603 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.62 -55.53 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.549 0.74 . . . . 0.0 110.476 172.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -35.0 77.04 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.82 -22.52 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.829 -1.169 . . . . 0.0 113.485 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.82 -53.42 10.28 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.478 0.581 . . . . 0.0 109.712 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.24 -26.24 62.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.163 1.785 . . . . 0.0 113.149 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -80.9 -15.07 57.3 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.67 1.588 . . . . 0.0 115.151 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -137.2 63.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.233 1.413 . . . . 0.0 113.236 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.41 168.5 20.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.377 1.471 . . . . 0.0 112.881 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.68 152.59 19.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.392 1.077 . . . . 0.0 109.747 169.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.02 20.56 0.05 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.627 1.971 . . . . 0.0 115.993 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -147.96 6.28 0.79 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.856 1.662 . . . . 0.0 113.958 -169.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.0 p -90.7 162.8 14.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.901 0.881 . . . . 0.0 112.739 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.43 -43.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.016 0.926 . . . . 0.0 111.11 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -67.11 -40.65 86.9 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.703 1.201 . . . . 0.0 111.966 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -57.86 -51.66 68.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.256 1.022 . . . . 0.0 111.13 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -70.95 -27.63 63.88 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.78 82.13 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.107 -0.996 . . . . 0.0 112.472 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.36 74.51 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.488 -0.758 . . . . 0.0 112.019 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.23 -38.47 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.4 0.68 . . . . 0.0 111.007 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.3 -45.58 87.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.521 0.728 . . . . 0.0 111.954 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.3 -44.29 92.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.845 0.858 . . . . 0.0 112.412 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -56.65 -32.7 65.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.562 1.145 . . . . 0.0 113.113 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.31 -62.82 1.38 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.166 1.386 . . . . 0.0 111.588 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.73 -48.35 64.02 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 112.635 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -79.59 -9.66 86.63 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.691 -0.631 . . . . 0.0 113.098 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.3 91.6 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.275 1.038 . . . . 0.0 111.206 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.65 82.58 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.37 1.068 . . . . 0.0 112.772 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.404 HG23 ' HA2' ' B' ' 140' ' ' GLY . 99.7 t -61.2 -37.35 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.089 0.956 . . . . 0.0 111.181 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.47 -31.01 66.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.384 0.674 . . . . 0.0 111.981 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.17 -54.75 11.56 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.74 1.155 . . . . 0.0 113.374 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.17 -22.28 62.72 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.642 1.177 . . . . 0.0 113.15 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.069 0.948 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -58.44 -40.88 83.77 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.75 1.22 . . . . 0.0 112.177 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -62.88 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -75.87 -22.14 56.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.37 1.068 . . . . 0.0 112.52 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.18 -44.64 10.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.916 1.286 . . . . 0.0 111.913 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.25 -32.87 73.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.161 0 CA-C-O 119.72 -0.489 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -54.59 -40.1 68.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.843 1.257 . . . . 0.0 112.489 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.81 -19.09 62.04 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.983 0.913 . . . . 0.0 113.458 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.19 -34.45 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.482 0.713 . . . . 0.0 110.776 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.99 -40.07 83.74 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.761 -0.587 . . . . 0.0 110.485 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.78 -44.23 77.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.235 0.614 . . . . 0.0 111.546 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -65.24 -40.54 94.17 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.97 0.805 . . . . 0.0 111.926 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.53 -30.35 70.64 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 112.862 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 32.2 m -73.1 -46.44 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.53 1.132 . . . . 0.0 110.645 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.4 tp -57.85 -38.59 75.94 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 112.909 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.55 -23.37 64.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.561 0.745 . . . . 0.0 112.905 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -83.44 -25.02 31.6 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 120.958 -1.089 . . . . 0.0 113.203 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.92 -22.02 65.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.136 . . . . 0.0 112.237 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -73.8 -20.79 60.36 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.367 -0.833 . . . . 0.0 112.895 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.71 6.54 8.67 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.924 0.89 . . . . 0.0 112.704 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -117.19 1.53 12.5 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.397 1.879 . . . . 0.0 112.99 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -126.55 83.66 2.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.003 2.121 . . . . 0.0 109.115 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.3 t -84.3 -5.68 59.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.754 1.222 . . . . 0.0 113.872 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.9 -12.39 60.52 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.535 1.54 . . . . 0.0 113.666 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 59.77 25.99 15.08 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.482 1.913 . . . . 0.0 113.022 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -71.6 -34.46 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.447 1.499 . . . . 0.0 112.122 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -108.47 -18.6 13.7 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.024 1.33 . . . . 0.0 112.22 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -54.38 -24.08 18.23 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.139 1.376 . . . . 0.0 114.112 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.15 152.73 80.69 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.864 1.666 . . . . 0.0 112.406 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.5 149.78 62.68 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 125.01 3.806 . . . . 0.0 113.312 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.23 125.1 91.17 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 124.399 1.08 . . . . 0.0 109.876 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 124.53 7.56 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 0.0 111.745 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.92 -16.94 62.12 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 27.9 m -68.63 -27.33 65.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.879 0.872 . . . . 0.0 112.559 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -94.04 -34.0 13.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.28 1.032 . . . . 0.0 112.017 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.16 81.2 69.19 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 110.098 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.01 -14.56 16.87 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.227 2.618 . . . . 0.0 112.988 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -98.82 11.9 37.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.676 1.59 . . . . 0.0 112.918 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -56.81 -38.24 72.31 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.864 -1.147 . . . . 0.0 112.512 -175.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.52 -20.18 54.65 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.272 1.429 . . . . 0.0 113.231 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.72 -25.13 41.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.6 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -99.58 -29.59 12.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.131 0.972 . . . . 0.0 113.424 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 121.28 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.821 1.248 . . . . 0.0 111.133 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -75.14 -31.16 60.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.92 1.288 . . . . 0.0 114.106 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -141.05 73.49 26.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.035 1.734 . . . . 0.0 111.225 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.46 135.65 16.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.721 2.947 . . . . 0.0 111.483 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.9 tpt -148.4 157.68 43.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.393 1.077 . . . . 0.0 113.507 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -151.74 166.38 31.52 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 112.025 -174.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.19 -30.27 70.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.56 -39.55 84.95 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.794 0.724 . . . . 0.0 110.729 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -34.78 76.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.399 1.08 . . . . 0.0 111.464 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 61.6 mmm -57.16 -55.01 40.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.895 0.878 . . . . 0.0 110.617 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.85 -42.54 98.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 112.68 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -61.7 -48.38 81.05 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.498 1.119 . . . . 0.0 111.77 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.61 -35.14 79.94 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.42 -43.65 66.36 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.403 -0.811 . . . . 0.0 111.853 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.58 -10.28 59.6 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.818 0.847 . . . . 0.0 113.027 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.38 1.46 49.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.733 1.613 . . . . 0.0 113.343 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 64.4 41.87 5.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.732 1.613 . . . . 0.0 112.652 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -93.91 -13.47 27.1 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.367 1.067 . . . . 0.0 113.763 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -92.39 -67.69 0.84 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.036 0.935 . . . . 0.0 113.005 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 2.71 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.751 2.421 . . . . 0.0 115.693 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -153.51 139.3 18.01 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.637 1.975 . . . . 0.0 108.838 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.64 -27.29 69.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.031 0.533 . . . . 0.0 111.206 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -65.44 -26.6 68.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 113.26 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -89.91 -37.62 14.27 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.272 1.029 . . . . 0.0 111.655 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -63.51 -39.42 94.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.388 1.075 . . . . 0.0 112.336 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.18 -40.01 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.547 1.139 . . . . 0.0 111.895 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.07 -31.75 70.73 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.211 -0.93 . . . . 0.0 113.299 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.56 -26.29 59.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.684 -0.635 . . . . 0.0 112.638 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.07 -41.61 73.92 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.109 -0.994 . . . . 0.0 110.741 169.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -58.92 -29.78 67.35 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.255 0.622 . . . . 0.0 112.185 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.48 -45.55 90.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.011 0.925 . . . . 0.0 111.721 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.33 -47.17 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.546 1.139 . . . . 0.0 110.975 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.03 -50.43 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.225 1.01 . . . . 0.0 110.352 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.3 t -58.43 -39.29 79.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.995 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -59.55 -29.65 68.07 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.027 -1.045 . . . . 0.0 113.559 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 17.8 t -79.9 -42.78 23.46 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.761 0.71 . . . . 0.0 111.67 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.62 -20.36 64.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.008 0.923 . . . . 0.0 112.324 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -89.21 -19.06 25.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -149.75 69.44 1.03 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.039 1.335 . . . . 0.0 112.956 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.68 152.88 5.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.173 1.789 . . . . 0.0 110.508 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.9 32.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.909 0.862 . . . . 0.0 112.666 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 6.07 1.64 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 117.245 2.313 . . . . 0.0 117.245 -169.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.21 16.95 1.07 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.751 1.22 . . . . 0.0 114.139 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.5 p -94.0 162.81 13.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.575 1.15 . . . . 0.0 112.941 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.47 -42.74 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.368 1.067 . . . . 0.0 111.054 169.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -67.05 -43.98 81.32 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.78 1.232 . . . . 0.0 111.842 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.24 -44.3 95.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.117 0.567 . . . . 0.0 110.799 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.1 -35.79 82.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.174 0.99 . . . . 0.0 113.228 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.9 72.72 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.454 1.024 . . . . 0.0 112.539 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.65 75.78 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.693 -0.63 . . . . 0.0 112.593 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.55 -41.77 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 0.0 110.602 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.479 0.712 . . . . 0.0 111.534 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.14 -46.02 92.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.057 0.943 . . . . 0.0 112.639 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -59.71 -31.31 69.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.445 1.098 . . . . 0.0 113.339 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -89.0 -65.6 1.0 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.768 1.227 . . . . 0.0 111.679 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -69.75 -47.01 64.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.619 0.768 . . . . 0.0 112.538 -169.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.463 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.52 -13.03 79.33 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.64 0.654 . . . . 0.0 113.282 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.0 -33.02 86.12 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 118.167 0.984 . . . . 0.0 110.646 169.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.68 81.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.916 0.886 . . . . 0.0 112.08 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.463 HG23 ' HA2' ' B' ' 140' ' ' GLY . 49.1 t -63.0 -39.87 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.892 0.877 . . . . 0.0 111.746 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.08 -40.16 82.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.491 0.716 . . . . 0.0 111.386 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -68.24 -45.14 74.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.091 0.956 . . . . 0.0 113.205 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.22 -35.24 77.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.282 1.033 . . . . 0.0 112.067 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.58 -25.13 22.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.742 0.817 . . . . 0.0 112.666 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -61.15 -27.5 68.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.719 1.208 . . . . 0.0 112.394 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -64.01 -22.3 66.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -70.59 -26.03 63.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.15 15.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.424 1.09 . . . . 0.0 112.122 171.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -66.14 -34.15 77.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -58.32 -39.88 80.57 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.129 0.965 . . . . 0.0 112.348 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.19 -20.19 64.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.939 0.896 . . . . 0.0 112.922 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.6 -37.8 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.896 0.878 . . . . 0.0 111.14 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 64.9 mt -52.86 -39.6 62.73 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.091 0.957 . . . . 0.0 111.798 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.85 -27.9 65.22 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.52 0.728 . . . . 0.0 111.535 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -69.74 -48.66 58.62 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.743 0.817 . . . . 0.0 110.028 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -34.85 76.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.489 1.116 . . . . 0.0 112.107 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -76.52 -48.01 20.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.477 1.111 . . . . 0.0 111.389 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.94 -39.92 79.24 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.669 1.122 . . . . 0.0 112.663 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.13 -27.51 65.63 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -74.88 -31.75 61.68 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.526 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.53 -31.88 73.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.302 0.956 . . . . 0.0 112.191 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -71.82 -22.38 61.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.957 0.799 . . . . 0.0 112.906 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.092 0.86 . . . . 0.0 112.697 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.14 -9.12 56.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.374 1.07 . . . . 0.0 113.872 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -108.85 79.79 1.26 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.971 1.708 . . . . 0.0 110.059 171.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -84.49 -5.67 59.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.628 1.171 . . . . 0.0 113.957 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.07 -10.49 64.37 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.481 1.515 . . . . 0.0 113.772 169.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.46 24.73 14.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.663 1.985 . . . . 0.0 113.143 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.71 -35.64 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.321 1.449 . . . . 0.0 112.111 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -110.03 -20.79 12.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 112.225 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -60.47 -19.64 57.3 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.833 1.253 . . . . 0.0 113.701 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -125.62 153.09 72.82 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.787 1.635 . . . . 0.0 111.77 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.47 144.53 61.53 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 124.56 3.506 . . . . 0.0 112.341 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -61.12 126.53 86.24 Favored Pre-proline 0 N--CA 1.482 1.127 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.574 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.74 111.08 3.21 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.507 2.805 . . . . 0.0 111.051 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.27 -19.95 61.61 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -26.35 68.5 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.258 1.023 . . . . 0.0 113.042 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.97 1.67 14.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.044 1.338 . . . . 0.0 114.027 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 t -143.4 75.4 16.78 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.494 1.518 . . . . 0.0 110.102 172.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.15 -10.29 16.45 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.144 2.563 . . . . 0.0 113.471 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.82 5.31 38.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.717 1.207 . . . . 0.0 113.018 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.83 -44.28 81.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.497 1.119 . . . . 0.0 112.257 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.78 -19.9 60.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.362 1.465 . . . . 0.0 113.235 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.85 -20.53 35.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.438 1.095 . . . . 0.0 112.712 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -104.29 -36.48 7.6 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 113.37 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.2 119.2 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.428 1.091 . . . . 0.0 110.18 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -75.67 -28.21 58.61 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -139.9 81.2 19.46 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.9 1.68 . . . . 0.0 109.564 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -81.72 138.55 10.66 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.465 2.776 . . . . 0.0 111.186 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.0 ttt -163.12 154.09 16.85 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -170.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -146.54 172.67 13.21 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.406 2.282 . . . . 0.0 110.573 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -57.48 -29.92 64.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.79 -40.86 96.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.083 0.553 . . . . 0.0 111.38 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 27.2 m -67.68 -39.21 84.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.713 1.205 . . . . 0.0 111.296 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.0 mtp -59.95 -51.82 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.217 0.462 . . . . 0.0 111.495 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -55.19 -46.18 75.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.604 1.162 . . . . 0.0 112.887 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -63.77 -46.13 86.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.095 0.958 . . . . 0.0 112.129 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.4 -40.61 97.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.271 0.628 . . . . 0.0 112.15 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.97 -41.13 82.86 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.007 -1.058 . . . . 0.0 111.863 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.2 -10.21 52.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.358 1.063 . . . . 0.0 113.52 173.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.47 7.44 37.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.721 1.608 . . . . 0.0 113.047 171.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 64.66 27.92 13.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.558 1.943 . . . . 0.0 113.647 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -74.57 -13.35 60.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.298 . . . . 0.0 113.68 -171.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -104.2 105.1 15.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.359 1.464 . . . . 0.0 111.522 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.63 -6.51 27.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.887 1.275 . . . . 0.0 113.479 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -150.64 157.94 43.57 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.746 1.218 . . . . 0.0 110.8 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -67.94 -22.55 65.04 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.18 -47.87 83.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.617 1.167 . . . . 0.0 112.467 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -74.66 -31.95 62.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.495 0.718 . . . . 0.0 112.291 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.52 -40.07 85.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.546 1.138 . . . . 0.0 111.79 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.37 -42.0 75.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.562 1.145 . . . . 0.0 111.491 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.65 -33.48 75.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.987 0.915 . . . . 0.0 113.311 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -73.56 -22.02 60.19 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.03 -43.45 62.03 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.087 -1.008 . . . . 0.0 109.588 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -58.56 -32.98 69.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.384 0.673 . . . . 0.0 111.989 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.86 -44.8 96.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.863 0.865 . . . . 0.0 111.934 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.05 -41.24 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.357 1.063 . . . . 0.0 111.305 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.61 -56.13 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.423 0.689 . . . . 0.0 110.483 172.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -65.76 -29.17 69.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.95 70.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.932 1.693 . . . . 0.0 111.562 170.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 47.8 t -80.47 -42.98 21.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.163 0.585 . . . . 0.0 111.678 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.87 -22.01 66.72 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.748 0.819 . . . . 0.0 112.073 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -78.74 -51.58 9.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.554 1.142 . . . . 0.0 112.993 169.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -103.66 63.0 0.77 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.394 1.077 . . . . 0.0 113.067 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.1 160.76 10.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.584 1.154 . . . . 0.0 112.721 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.7 172.97 11.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.015 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -89.15 7.04 37.24 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -138.39 30.95 2.37 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.858 1.663 . . . . 0.0 112.606 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 71.7 p -121.98 162.33 21.3 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.576 1.551 . . . . 0.0 112.691 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.16 -44.27 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.784 1.234 . . . . 0.0 112.233 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -67.46 -42.01 83.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.046 0.939 . . . . 0.0 112.523 -169.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -59.16 -45.83 89.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.355 0.662 . . . . 0.0 111.125 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.83 0.852 . . . . 0.0 113.169 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.76 78.02 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.452 1.024 . . . . 0.0 112.13 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.66 76.11 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.603 -0.686 . . . . 0.0 112.597 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.19 -39.81 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.213 0.605 . . . . 0.0 110.918 170.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.35 -37.09 85.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.482 0.713 . . . . 0.0 112.168 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.06 -46.5 77.56 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.086 0.954 . . . . 0.0 111.973 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -58.08 -33.04 68.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.307 1.043 . . . . 0.0 113.144 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.15 -67.21 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.888 1.275 . . . . 0.0 111.536 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.39 -45.64 68.79 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -169.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.462 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.07 -13.76 78.5 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.645 0.657 . . . . 0.0 113.242 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.26 89.44 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 169.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.61 -40.76 84.69 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.665 0.786 . . . . 0.0 111.747 169.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.462 HG23 ' HA2' ' B' ' 140' ' ' GLY . 57.6 t -61.25 -38.27 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.22 1.008 . . . . 0.0 111.911 -176.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.69 -40.42 76.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.293 0.637 . . . . 0.0 111.459 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -72.47 -41.18 66.32 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.06 -34.19 77.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.624 0.77 . . . . 0.0 112.057 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.53 -27.4 20.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.939 0.896 . . . . 0.0 112.236 -170.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -58.58 -30.84 67.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.381 1.073 . . . . 0.0 111.563 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.38 -24.71 66.68 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.61 -19.79 60.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 112.746 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.56 -37.22 12.01 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.248 1.419 . . . . 0.0 112.822 171.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.09 -33.23 75.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.797 0.839 . . . . 0.0 112.948 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 CA-C-O 119.986 -0.341 . . . . 0.0 113.114 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.55 -36.3 73.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.833 1.253 . . . . 0.0 112.654 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.35 -20.69 62.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.96 0.904 . . . . 0.0 113.129 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.8 -32.91 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.166 0.987 . . . . 0.0 110.601 171.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.25 -44.11 92.8 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.701 -0.624 . . . . 0.0 110.605 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.57 -45.54 65.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.56 0.344 . . . . 0.0 111.533 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -62.81 -28.77 70.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.35 -46.33 20.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.882 0.873 . . . . 0.0 112.38 171.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -62.42 -40.58 97.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.915 1.286 . . . . 0.0 111.862 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.77 -34.39 69.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -70.42 -28.18 64.85 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.251 0.62 . . . . 0.0 112.01 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -75.45 -30.11 59.87 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.671 0.788 . . . . 0.0 111.593 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.03 -27.41 67.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.998 0.817 . . . . 0.0 112.65 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.34 -22.61 59.15 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.034 0.833 . . . . 0.0 112.696 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.87 -18.83 62.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.977 0.808 . . . . 0.0 112.502 170.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.83 1.31 54.28 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.973 1.309 . . . . 0.0 113.572 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -123.03 79.2 1.63 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.362 1.865 . . . . 0.0 109.753 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.8 t -82.45 -6.23 59.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.87 1.268 . . . . 0.0 113.843 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.04 -12.42 61.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.515 1.531 . . . . 0.0 113.693 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 60.01 28.33 17.85 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.29 1.836 . . . . 0.0 112.978 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.8 mt -76.31 -30.94 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.907 1.683 . . . . 0.0 111.779 -174.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -113.94 -13.74 12.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.995 1.718 . . . . 0.0 112.755 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -60.87 -18.88 58.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.167 1.387 . . . . 0.0 113.861 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -133.83 158.11 76.24 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 112.082 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.75 152.1 74.23 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.624 3.549 . . . . 0.0 111.984 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -67.15 129.6 93.85 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 110.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.55 112.59 3.26 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.34 2.693 . . . . 0.0 110.819 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.11 -24.23 63.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.234 0.613 . . . . 0.0 112.307 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -62.46 -17.81 60.33 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.956 1.303 . . . . 0.0 113.931 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.65 4.47 10.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.211 1.405 . . . . 0.0 113.926 171.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 t -149.55 77.41 8.78 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.677 1.591 . . . . 0.0 108.964 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.28 -11.75 14.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.067 2.511 . . . . 0.0 113.365 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.94 2.85 49.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.38 1.072 . . . . 0.0 112.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.77 -40.99 73.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.539 1.135 . . . . 0.0 112.434 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.21 -21.66 58.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.086 1.354 . . . . 0.0 113.367 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -84.74 -24.25 28.92 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.514 1.125 . . . . 0.0 112.533 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -97.53 -37.74 9.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.405 1.082 . . . . 0.0 112.665 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.7 118.44 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.525 1.13 . . . . 0.0 109.971 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.41 -27.97 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.222 1.009 . . . . 0.0 113.616 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -137.96 83.81 22.56 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.261 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.37 123.66 7.26 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.989 1.793 . . . . 0.0 109.356 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.56 164.51 38.11 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -169.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -168.33 174.54 6.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.012 1.725 . . . . 0.0 112.69 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.87 -25.32 68.11 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -70.44 -37.77 74.41 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.907 1.23 . . . . 0.0 110.924 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.6 m -69.51 -36.51 76.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.362 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.04 -54.43 43.12 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.944 0.793 . . . . 0.0 110.155 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -56.17 -46.38 79.35 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 113.0 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.58 -44.66 89.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.839 0.856 . . . . 0.0 112.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -66.81 -30.52 70.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -77.38 -39.29 47.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.379 1.072 . . . . 0.0 112.183 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.94 -15.96 63.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.354 1.062 . . . . 0.0 112.992 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.01 -7.34 22.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.715 1.606 . . . . 0.0 113.461 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 71.92 51.84 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.176 2.191 . . . . 0.0 112.188 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -15.15 39.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.852 1.261 . . . . 0.0 114.211 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -83.38 -78.22 0.23 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.904 0.882 . . . . 0.0 113.369 -170.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 67.29 -0.68 1.73 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.03 2.532 . . . . 0.0 115.287 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -148.22 138.89 22.95 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 126.581 1.952 . . . . 0.0 108.896 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -66.71 -24.76 66.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.219 0.608 . . . . 0.0 111.529 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.53 -39.92 85.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.979 0.912 . . . . 0.0 112.068 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -75.51 -38.13 59.65 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.235 1.014 . . . . 0.0 112.167 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.28 -37.7 87.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 111.936 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.37 -40.86 66.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.937 1.295 . . . . 0.0 111.742 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.12 -32.55 70.63 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.065 -1.022 . . . . 0.0 113.693 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -74.49 -30.79 61.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.514 -0.741 . . . . 0.0 111.784 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.0 -43.56 98.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.849 -1.157 . . . . 0.0 111.01 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -58.4 -32.25 68.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.541 0.736 . . . . 0.0 112.457 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.3 -39.94 94.93 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.126 0.971 . . . . 0.0 112.323 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.9 mt -69.62 -39.48 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.844 1.257 . . . . 0.0 111.061 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.36 -52.35 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.287 0.635 . . . . 0.0 109.751 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -59.8 -34.14 72.65 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.598 1.159 . . . . 0.0 113.75 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -34.82 62.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.768 1.227 . . . . 0.0 113.164 174.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.6 t -79.51 -49.95 11.49 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.355 0.525 . . . . 0.0 110.784 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.47 -24.93 49.16 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.046 1.339 . . . . 0.0 112.657 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -91.74 -18.57 23.72 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.545 1.938 . . . . 0.0 114.445 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -136.02 75.45 1.55 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.561 1.544 . . . . 0.0 111.953 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -160.49 -167.88 2.0 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.392 1.477 . . . . 0.0 112.812 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -138.63 162.77 33.8 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.995 1.718 . . . . 0.0 110.196 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -68.35 2.22 2.44 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.81 9.45 3.07 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.156 1.382 . . . . 0.0 114.059 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.6 p -89.22 158.22 17.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.843 0.857 . . . . 0.0 112.628 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -61.33 -40.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.337 1.055 . . . . 0.0 111.637 169.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -67.71 -36.8 81.28 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.709 1.204 . . . . 0.0 112.749 -172.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -56.59 -54.81 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.159 0.983 . . . . 0.0 110.979 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.79 -29.01 68.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.13 0.972 . . . . 0.0 112.96 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.25 86.92 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.414 1.006 . . . . 0.0 112.631 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.22 73.18 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.49 -0.756 . . . . 0.0 112.221 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.2 -37.73 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.309 0.644 . . . . 0.0 111.053 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -60.17 -44.77 94.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.884 0.874 . . . . 0.0 111.92 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.71 -45.65 93.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.914 0.886 . . . . 0.0 112.2 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -58.15 -31.0 66.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.898 0.879 . . . . 0.0 113.139 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.1 -64.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.823 1.249 . . . . 0.0 111.724 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.22 -40.51 71.07 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.441 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.75 -8.15 87.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.63 0.65 . . . . 0.0 113.07 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.13 94.32 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.338 1.069 . . . . 0.0 110.68 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.41 90.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.607 0.763 . . . . 0.0 112.055 170.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.441 HG23 ' HA2' ' B' ' 140' ' ' GLY . 46.5 t -63.21 -39.72 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.733 0.813 . . . . 0.0 111.182 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.4 -36.04 76.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.567 0.747 . . . . 0.0 111.478 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -68.33 -52.48 33.0 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.387 0.994 . . . . 0.0 113.445 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -61.86 -36.41 81.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.21 1.004 . . . . 0.0 111.708 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.84 -28.37 24.48 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.049 0.939 . . . . 0.0 111.787 -170.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.72 -32.42 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 111.623 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -64.96 -24.63 67.58 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.168 -0.957 . . . . 0.0 113.467 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -71.1 -23.82 62.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.98 0.912 . . . . 0.0 112.492 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -43.33 12.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 111.912 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -65.75 -34.34 77.96 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -58.32 -47.51 83.5 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.762 1.225 . . . . 0.0 112.362 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -23.15 67.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.37 1.068 . . . . 0.0 112.865 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mt -80.14 -37.89 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.02 1.328 . . . . 0.0 110.873 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.68 -42.49 75.24 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.718 0.807 . . . . 0.0 110.617 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.55 -32.95 72.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.955 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -59.55 -52.72 64.33 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.147 0.885 . . . . 0.0 110.372 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.71 -35.31 80.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.49 1.116 . . . . 0.0 113.03 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 m -72.92 -47.88 41.87 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.771 1.229 . . . . 0.0 111.072 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.92 -39.44 77.98 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.32 -22.14 64.72 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -82.88 -28.73 29.81 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.321 0.964 . . . . 0.0 112.236 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.59 -31.6 72.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.016 1.28 . . . . 0.0 111.466 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -69.71 -23.13 63.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.479 0.712 . . . . 0.0 112.768 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.26 -18.51 60.07 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.131 0.878 . . . . 0.0 112.575 172.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.02 6.76 38.19 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.028 1.331 . . . . 0.0 113.736 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -121.9 79.47 1.58 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.791 1.637 . . . . 0.0 109.929 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 70.5 p -83.25 -5.74 59.23 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.431 1.492 . . . . 0.0 114.197 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -12.7 58.1 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.138 1.828 . . . . 0.0 113.959 169.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.4 28.22 17.85 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 112.968 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -76.45 -28.94 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.75 1.62 . . . . 0.0 111.89 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -115.7 -17.18 11.16 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.107 1.763 . . . . 0.0 112.515 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -58.58 -23.77 59.37 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.173 1.389 . . . . 0.0 113.908 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -130.74 152.51 80.63 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.742 1.617 . . . . 0.0 111.656 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.88 146.35 71.56 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.657 3.572 . . . . 0.0 112.826 -174.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.4 124.07 84.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 0.0 109.979 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -75.13 118.03 5.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.24 2.627 . . . . 0.0 111.449 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.15 -17.38 62.55 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.68 0.792 . . . . 0.0 112.778 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -68.06 -27.35 66.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 112.581 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -94.44 -32.61 13.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.379 1.072 . . . . 0.0 112.046 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.8 t -132.87 80.09 61.78 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.024 1.33 . . . . 0.0 110.318 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.31 -14.49 16.41 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.345 2.697 . . . . 0.0 113.443 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.34 4.09 50.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.623 1.169 . . . . 0.0 113.007 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -55.39 -43.38 75.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.113 0.965 . . . . 0.0 112.203 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -76.09 -20.47 57.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.876 1.271 . . . . 0.0 113.432 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.8 -27.79 40.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.08 0.952 . . . . 0.0 112.474 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -94.03 -35.22 12.7 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.29 1.036 . . . . 0.0 113.024 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mm -101.52 113.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.774 1.23 . . . . 0.0 110.35 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.88 -24.66 61.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -149.25 77.94 8.82 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 126.214 1.806 . . . . 0.0 111.58 -174.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.26 152.02 30.42 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.277 3.318 . . . . 0.0 112.184 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -163.45 156.86 19.13 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.763 1.625 . . . . 0.0 112.499 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -151.7 170.55 19.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.815 2.446 . . . . 0.0 110.557 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.38 -23.25 66.71 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.17 -44.91 82.67 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.973 0.806 . . . . 0.0 110.984 172.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 32.5 m -65.34 -39.31 92.23 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.224 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 77.3 mmm -54.15 -54.51 38.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.929 0.892 . . . . 0.0 111.262 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -58.74 -43.47 90.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.733 0.813 . . . . 0.0 112.927 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.5 -44.31 94.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.035 0.834 . . . . 0.0 112.206 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.02 -37.71 85.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.426 0.69 . . . . 0.0 111.876 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.93 69.08 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.796 -1.19 . . . . 0.0 112.139 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.14 -11.94 60.03 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.554 1.142 . . . . 0.0 113.243 174.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 9.72 36.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.115 1.766 . . . . 0.0 113.05 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 63.34 23.77 13.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.101 1.76 . . . . 0.0 113.911 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.6 -24.0 65.44 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 112.952 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -91.84 103.0 15.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.797 1.239 . . . . 0.0 111.785 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.98 -11.98 21.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.301 1.441 . . . . 0.0 113.047 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.64 146.89 31.5 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.395 1.878 . . . . 0.0 110.137 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.6 -26.65 65.48 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.53 -43.84 80.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.64 1.176 . . . . 0.0 112.645 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -72.29 -36.85 69.05 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.686 0.794 . . . . 0.0 112.36 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.96 -36.13 81.51 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.014 0.926 . . . . 0.0 111.779 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.67 -41.69 59.83 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.709 1.204 . . . . 0.0 111.841 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -66.85 -33.55 75.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.074 -1.016 . . . . 0.0 113.055 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -74.31 -25.59 59.65 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.651 -0.655 . . . . 0.0 112.387 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.5 -43.22 70.13 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.95 -1.094 . . . . 0.0 110.296 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -58.12 -31.09 66.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.208 0.603 . . . . 0.0 112.158 172.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.2 -44.04 93.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.879 0.872 . . . . 0.0 111.877 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.26 -47.05 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.122 0.969 . . . . 0.0 110.848 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.17 -52.18 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.989 0.916 . . . . 0.0 110.53 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t -58.79 -45.07 90.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.592 0.757 . . . . 0.0 112.383 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.61 -24.53 67.08 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.193 -0.942 . . . . 0.0 113.471 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -72.42 -50.46 26.18 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.091 0.556 . . . . 0.0 110.987 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.92 -27.95 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 112.213 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -77.76 -13.54 59.86 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.861 1.664 . . . . 0.0 114.833 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -131.85 49.52 2.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.571 1.548 . . . . 0.0 112.649 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -152.07 154.2 35.46 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.041 1.336 . . . . 0.0 111.185 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.32 166.76 21.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.059 0.944 . . . . 0.0 111.342 170.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.52 4.45 3.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -140.79 16.18 2.32 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.644 1.578 . . . . 0.0 115.181 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.8 p -94.2 159.62 15.06 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.126 0.97 . . . . 0.0 112.382 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.72 -38.78 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.416 1.087 . . . . 0.0 112.198 171.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.87 -33.8 70.97 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.971 0.909 . . . . 0.0 112.932 -172.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.78 -46.8 88.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.8 0.44 . . . . 0.0 110.663 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.89 -30.08 66.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.168 0.987 . . . . 0.0 113.264 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.21 74.45 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.366 0.985 . . . . 0.0 112.71 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.82 -33.78 64.3 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.24 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.339 0.656 . . . . 0.0 110.674 171.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -42.29 97.63 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.351 0.66 . . . . 0.0 111.735 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.01 -45.7 91.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.954 0.797 . . . . 0.0 112.432 171.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -58.02 -32.5 68.01 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.254 1.021 . . . . 0.0 113.116 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -85.69 -66.31 0.91 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.881 1.273 . . . . 0.0 111.633 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -70.04 -47.34 62.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.476 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.09 -14.24 77.46 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 118.501 0.591 . . . . 0.0 113.105 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.66 90.52 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-N 118.186 0.993 . . . . 0.0 110.832 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.86 88.33 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.601 0.76 . . . . 0.0 112.15 169.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.476 HG23 ' HA2' ' B' ' 140' ' ' GLY . 47.7 t -62.08 -34.41 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.273 1.029 . . . . 0.0 111.836 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 75.8 mt -74.29 -40.32 62.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.794 0.837 . . . . 0.0 111.565 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.51 -37.06 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.561 1.144 . . . . 0.0 113.26 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.12 -35.86 66.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.49 1.116 . . . . 0.0 112.42 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.41 25.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.559 0.744 . . . . 0.0 112.927 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -54.61 -35.04 62.97 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.523 1.529 . . . . 0.0 112.034 169.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -68.13 -22.32 64.88 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -73.1 -20.09 61.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.026 0.931 . . . . 0.0 112.641 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.4 -40.19 12.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.953 0.901 . . . . 0.0 112.449 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.56 -28.96 66.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 CA-C-O 118.999 -0.89 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.67 -43.02 99.86 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.412 1.085 . . . . 0.0 112.614 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.03 -34.17 77.8 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.888 0.875 . . . . 0.0 111.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 56.0 mt -67.77 -32.47 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.188 0.995 . . . . 0.0 112.137 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.98 -41.29 78.1 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.242 0.928 . . . . 0.0 110.936 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.77 -36.08 75.45 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.904 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -58.33 -48.1 81.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.51 0.724 . . . . 0.0 110.925 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -74.26 -19.55 60.46 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -86.35 -42.31 13.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.497 1.119 . . . . 0.0 111.117 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.62 -41.66 77.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.9 -27.92 69.18 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.698 -0.626 . . . . 0.0 112.685 175.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -78.07 -13.84 59.72 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.727 0.811 . . . . 0.0 112.539 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.75 -38.21 17.14 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.701 1.137 . . . . 0.0 108.947 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -64.61 -33.63 76.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.899 0.879 . . . . 0.0 112.599 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.8 -17.43 64.63 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -85.15 -12.08 53.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.444 1.098 . . . . 0.0 112.67 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.09 79.87 2.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.872 1.669 . . . . 0.0 110.025 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -83.13 -6.81 59.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.086 1.354 . . . . 0.0 114.198 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.94 -11.54 61.48 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.024 1.773 . . . . 0.0 114.151 169.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 61.56 26.35 16.08 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.388 1.875 . . . . 0.0 113.151 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -32.51 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.164 1.786 . . . . 0.0 112.14 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -112.38 -15.69 13.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.949 1.7 . . . . 0.0 112.458 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -62.0 -22.62 65.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 113.86 170.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.28 152.16 79.71 Favored Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.632 1.573 . . . . 0.0 112.123 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.38 150.75 64.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.709 3.606 . . . . 0.0 112.764 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.89 123.41 83.6 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.216 1.007 . . . . 0.0 109.681 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.36 119.64 5.63 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.263 2.642 . . . . 0.0 111.292 -175.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.74 -16.76 62.22 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.5 m -68.61 -27.48 66.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.048 0.939 . . . . 0.0 112.684 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -94.73 -34.85 12.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.289 1.036 . . . . 0.0 112.039 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.44 81.99 66.51 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.165 1.386 . . . . 0.0 110.193 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.96 -13.03 17.63 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.199 2.599 . . . . 0.0 113.044 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -99.25 10.21 41.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.604 1.561 . . . . 0.0 113.218 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.18 -36.24 68.14 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.808 -1.182 . . . . 0.0 112.734 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.05 -20.09 56.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.558 1.543 . . . . 0.0 113.483 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.33 -30.95 54.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 112.092 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.6 -37.32 15.74 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.903 0.881 . . . . 0.0 112.477 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.8 mm -118.1 118.43 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.168 1.387 . . . . 0.0 111.081 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -76.36 -27.29 56.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 114.176 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 76.19 30.79 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 125.543 1.537 . . . . 0.0 112.111 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.41 145.86 60.51 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.249 2.632 . . . . 0.0 111.145 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -158.38 153.69 25.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 111.876 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -150.83 171.5 17.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 127.354 2.262 . . . . 0.0 110.237 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.18 -23.39 66.58 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -66.45 -44.82 81.75 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.717 0.69 . . . . 0.0 111.371 171.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -67.05 -38.77 86.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.276 1.031 . . . . 0.0 111.126 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mmm -54.47 -55.25 30.83 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.815 0.846 . . . . 0.0 111.045 170.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.49 -46.67 86.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.831 0.852 . . . . 0.0 112.941 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.25 -45.26 95.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.106 0.962 . . . . 0.0 111.777 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.593 0.757 . . . . 0.0 111.907 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.51 -43.6 76.46 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.017 0.927 . . . . 0.0 111.979 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.32 -12.27 61.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.09 7.18 46.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.783 1.633 . . . . 0.0 113.044 171.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 65.1 28.04 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.498 1.919 . . . . 0.0 113.728 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -68.61 -23.16 64.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.708 1.203 . . . . 0.0 113.379 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.32 100.93 11.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.805 1.242 . . . . 0.0 111.57 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.34 -4.79 44.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.305 1.442 . . . . 0.0 113.01 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -153.44 149.41 27.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.291 1.836 . . . . 0.0 109.97 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.48 -24.93 67.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.306 0.642 . . . . 0.0 111.995 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.12 -42.16 94.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.079 0.952 . . . . 0.0 112.73 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.05 -36.28 64.36 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.859 0.863 . . . . 0.0 112.212 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.74 -38.01 87.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.963 0.905 . . . . 0.0 111.594 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -45.51 67.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.956 1.302 . . . . 0.0 111.27 173.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.42 -35.82 82.06 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.12 -26.13 61.11 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.476 -0.765 . . . . 0.0 112.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.61 -41.21 72.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.043 -1.036 . . . . 0.0 110.447 169.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -58.98 -30.36 67.89 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.651 -0.656 . . . . 0.0 112.066 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 7.5 tp -62.77 -45.64 91.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.048 0.84 . . . . 0.0 111.593 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.27 -47.06 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.149 0.979 . . . . 0.0 110.773 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.21 -57.7 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.042 0.937 . . . . 0.0 110.677 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.3 m -65.46 -31.0 71.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.95 -32.6 74.19 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.255 -0.903 . . . . 0.0 112.538 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -74.01 -42.51 60.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.78 -0.575 . . . . 0.0 111.294 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.94 -29.22 62.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.653 1.181 . . . . 0.0 112.621 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.74 -28.79 66.09 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.602 1.161 . . . . 0.0 113.411 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -129.34 70.06 1.41 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.286 1.434 . . . . 0.0 111.15 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -161.92 154.93 20.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.533 1.533 . . . . 0.0 112.348 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.02 159.74 24.75 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.613 0.721 . . . . 0.0 109.968 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.38 6.24 2.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -169.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -148.81 24.98 0.95 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.762 1.225 . . . . 0.0 113.817 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 82.0 p -88.05 156.9 19.06 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.873 0.844 . . . . 0.0 112.072 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.05 -41.2 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.222 1.009 . . . . 0.0 111.166 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.71 -40.77 84.28 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.819 1.247 . . . . 0.0 112.683 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.21 -49.63 76.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.464 0.706 . . . . 0.0 110.867 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -70.57 -24.12 62.71 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.89 86.16 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.602 1.092 . . . . 0.0 111.674 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.36 74.7 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 112.607 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.85 -41.96 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.602 0.637 . . . . 0.0 110.715 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -67.72 -35.06 78.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.004 0.82 . . . . 0.0 112.703 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.79 -43.4 98.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.216 0.916 . . . . 0.0 111.851 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.76 -32.01 71.33 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.47 -66.13 0.93 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 111.457 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.35 -47.74 66.65 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.732 0.813 . . . . 0.0 112.607 -170.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.432 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -80.63 -10.08 85.64 Favored Glycine 0 CA--C 1.532 1.144 0 O-C-N 121.747 -0.595 . . . . 0.0 113.295 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.24 -35.38 90.29 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.56 0.744 . . . . 0.0 111.738 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.432 HG23 ' HA2' ' B' ' 140' ' ' GLY . 48.9 t -63.37 -41.24 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 111.543 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.09 -31.09 68.49 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.541 -0.725 . . . . 0.0 112.059 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -71.73 -51.02 24.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.851 0.86 . . . . 0.0 112.526 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.63 -34.65 78.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.271 1.028 . . . . 0.0 112.154 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.26 -23.6 23.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 112.874 -169.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -65.02 -28.61 69.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.389 1.076 . . . . 0.0 112.331 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.07 -27.42 68.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.117 0.967 . . . . 0.0 113.269 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -70.08 -24.45 63.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.386 1.074 . . . . 0.0 112.628 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.91 -43.72 12.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.494 1.118 . . . . 0.0 112.159 170.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -64.84 -31.33 72.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.12 -38.04 75.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.438 1.095 . . . . 0.0 112.643 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.14 -19.6 62.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.161 0.984 . . . . 0.0 113.223 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.22 -28.27 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.129 0.971 . . . . 0.0 110.997 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.42 -49.81 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.548 -0.72 . . . . 0.0 110.106 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.93 -43.38 92.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.892 0.477 . . . . 0.0 111.589 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.22 -33.19 75.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.97 -42.26 63.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.43 0.692 . . . . 0.0 112.351 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.5 m -65.38 -43.55 90.34 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.812 1.245 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.25 -39.36 72.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.934 0.894 . . . . 0.0 112.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -68.62 -24.44 64.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.403 0.681 . . . . 0.0 112.499 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.65 -23.2 34.35 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.403 -0.811 . . . . 0.0 113.035 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.08 -26.76 64.14 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.08 1.309 . . . . 0.0 111.331 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.55 -19.87 62.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.645 -0.659 . . . . 0.0 112.498 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.71 -1.2 37.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.487 1.115 . . . . 0.0 112.753 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -106.79 -26.16 11.4 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.23 1.412 . . . . 0.0 112.618 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -92.1 81.91 5.06 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.093 1.357 . . . . 0.0 109.469 169.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.4 t -84.26 -5.38 59.25 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.785 1.234 . . . . 0.0 113.796 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.75 -11.89 61.38 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.562 1.553 . . . . 0.0 113.734 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 60.82 26.38 16.22 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.335 1.854 . . . . 0.0 113.12 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -75.88 -31.34 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.687 1.595 . . . . 0.0 112.249 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.77 -17.91 12.43 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.626 1.571 . . . . 0.0 112.347 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -59.74 -22.39 62.0 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -135.06 149.12 69.4 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 125.881 1.673 . . . . 0.0 112.646 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -66.82 150.73 83.23 Favored 'Trans proline' 0 CA--C 1.537 0.65 1 C-N-CA 125.463 4.108 . . . . 0.0 112.817 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.69 128.05 93.52 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.246 1.018 . . . . 0.0 110.446 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.0 115.12 4.19 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.341 2.694 . . . . 0.0 110.63 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.83 -22.91 63.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.27 -18.08 56.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 113.939 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.3 9.0 9.71 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.213 1.405 . . . . 0.0 113.375 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -149.65 77.98 8.5 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.275 1.83 . . . . 0.0 109.16 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.24 -12.08 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.166 2.577 . . . . 0.0 113.13 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -100.55 10.12 41.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.415 1.486 . . . . 0.0 113.288 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.2 -39.44 72.45 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.909 -1.12 . . . . 0.0 112.576 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.5 mt -78.3 -20.55 51.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.092 1.357 . . . . 0.0 113.29 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.23 -27.95 38.65 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -97.84 -24.2 15.53 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -119.34 119.89 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.768 1.227 . . . . 0.0 110.884 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.18 -29.09 42.75 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -130.45 78.27 74.51 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 126.392 1.877 . . . . 0.0 110.668 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.36 131.69 10.79 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.847 2.365 . . . . 0.0 110.325 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.8 ttt -157.45 163.97 37.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.886 0.874 . . . . 0.0 112.78 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -153.41 162.99 40.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.728 1.611 . . . . 0.0 112.339 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -54.89 -32.04 60.53 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.382 1.073 . . . . 0.0 113.228 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -64.9 -38.28 90.44 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.865 0.757 . . . . 0.0 111.776 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 15.5 m -68.04 -38.58 82.66 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.954 0.902 . . . . 0.0 111.094 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.3 mtp -58.53 -52.16 66.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.961 0.504 . . . . 0.0 111.127 170.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -56.67 -47.58 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.78 1.232 . . . . 0.0 112.636 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.16 -46.07 88.91 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.171 0.988 . . . . 0.0 112.011 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.79 -36.05 82.44 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.31 -40.39 70.85 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.144 -0.972 . . . . 0.0 111.592 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.54 -13.57 62.17 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.132 0.973 . . . . 0.0 113.297 171.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.74 4.31 47.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.875 1.67 . . . . 0.0 113.007 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 64.55 27.05 13.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.572 1.949 . . . . 0.0 113.817 175.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -67.9 -18.98 64.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -104.54 103.26 12.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.782 1.233 . . . . 0.0 111.839 -174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.26 -6.09 28.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.417 1.487 . . . . 0.0 112.924 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -142.28 144.46 33.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.157 1.783 . . . . 0.0 109.755 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.04 -26.88 67.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.21 0.604 . . . . 0.0 112.491 -173.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.04 -40.72 90.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.7 1.2 . . . . 0.0 113.184 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.82 -20.84 48.71 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.143 -0.973 . . . . 0.0 112.732 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -83.66 -11.2 57.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.744 1.618 . . . . 0.0 112.664 170.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.85 -42.06 8.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.224 1.41 . . . . 0.0 111.075 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.22 -30.16 71.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.007 1.323 . . . . 0.0 114.49 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -80.46 -28.04 37.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.226 1.01 . . . . 0.0 113.508 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.04 -42.91 84.02 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.463 169.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -56.52 -35.63 68.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.632 0.773 . . . . 0.0 112.152 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -41.97 98.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.055 0.843 . . . . 0.0 112.087 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.42 -40.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.72 1.208 . . . . 0.0 111.415 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.9 -54.12 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.374 0.67 . . . . 0.0 110.075 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -30.82 71.85 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -52.82 -34.04 52.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.652 1.181 . . . . 0.0 112.575 171.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 6.2 t -82.57 -40.42 20.94 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.958 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.78 -20.35 64.34 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.922 0.889 . . . . 0.0 112.19 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -82.9 -29.02 29.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.514 1.525 . . . . 0.0 115.031 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -137.91 16.95 2.85 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.33 135.84 48.49 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.097 -1.627 . . . . 0.0 110.799 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.72 158.04 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.106 0.955 . . . . 0.0 113.05 -170.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -71.5 10.46 0.63 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.32 18.33 1.72 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.667 1.587 . . . . 0.0 113.06 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 45.7 p -109.71 159.75 16.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.9 1.28 . . . . 0.0 111.599 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.22 -43.34 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.339 1.056 . . . . 0.0 112.174 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -66.33 -47.41 73.57 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.167 0.987 . . . . 0.0 111.988 -171.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.59 -43.38 84.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 111.781 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.43 61.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.98 -31.69 72.07 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.692 -1.255 . . . . 0.0 112.888 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.19 -33.69 70.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.215 -0.928 . . . . 0.0 112.697 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.53 -37.98 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.512 0.725 . . . . 0.0 110.452 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.69 -44.32 96.67 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.66 0.664 . . . . 0.0 111.701 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.55 -45.33 94.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.752 0.821 . . . . 0.0 112.508 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.26 -31.74 70.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.236 1.015 . . . . 0.0 113.191 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -87.68 -66.0 0.96 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.003 1.321 . . . . 0.0 111.57 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -71.17 -49.74 40.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.638 0.775 . . . . 0.0 112.255 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.464 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -77.51 -12.37 84.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.692 -0.63 . . . . 0.0 113.283 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.04 82.11 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 169.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.45 72.46 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.104 0.952 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.464 HG23 ' HA2' ' B' ' 140' ' ' GLY . 60.8 t -63.55 -34.96 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.054 0.942 . . . . 0.0 112.164 -174.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 76.7 mt -73.69 -38.78 64.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.534 0.733 . . . . 0.0 111.283 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -68.18 -43.67 77.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.753 1.221 . . . . 0.0 113.422 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -66.71 -34.5 77.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.211 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.11 -25.73 20.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.915 0.886 . . . . 0.0 112.937 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -57.15 -29.19 63.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.891 1.276 . . . . 0.0 111.984 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.22 -29.07 65.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.839 1.256 . . . . 0.0 113.18 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.04 -21.24 59.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.742 1.217 . . . . 0.0 112.812 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.29 -40.62 12.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.741 1.217 . . . . 0.0 111.995 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.03 -33.83 76.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 CA-C-O 119.831 -0.427 . . . . 0.0 113.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.4 -37.99 73.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.612 1.165 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -72.81 -16.73 61.61 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.114 0.966 . . . . 0.0 113.491 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -76.85 -31.55 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.643 1.177 . . . . 0.0 110.76 171.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.92 -48.33 80.9 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.81 -46.53 71.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.103 0.561 . . . . 0.0 111.8 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -63.25 -35.04 79.01 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.58 -38.94 62.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.591 0.757 . . . . 0.0 112.276 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -65.88 -46.93 76.56 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.027 1.331 . . . . 0.0 111.242 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.64 -40.68 79.79 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.702 0.801 . . . . 0.0 112.574 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.68 -25.46 65.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.217 0.607 . . . . 0.0 112.614 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -78.05 -33.06 51.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.387 0.994 . . . . 0.0 111.84 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.08 -33.69 74.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.77 1.168 . . . . 0.0 111.497 169.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.54 -19.66 62.88 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -82.17 -19.28 40.22 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.044 0.838 . . . . 0.0 113.03 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -78.91 -16.18 57.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -97.59 80.45 2.83 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.551 1.14 . . . . 0.0 110.52 172.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 62.7 p -84.38 -5.81 59.32 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.853 1.261 . . . . 0.0 114.23 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.04 -12.55 60.1 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.952 1.739 . . . . 0.0 113.976 170.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 60.99 27.51 17.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.345 1.858 . . . . 0.0 113.108 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -77.24 -29.97 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.755 1.622 . . . . 0.0 112.032 -173.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -117.15 -13.86 10.52 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.049 1.74 . . . . 0.0 112.817 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -58.36 -23.05 55.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.569 1.548 . . . . 0.0 113.929 170.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -132.59 155.81 80.8 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 126.076 1.75 . . . . 0.0 111.608 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.81 151.41 78.59 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.464 3.442 . . . . 0.0 111.551 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.78 126.01 87.66 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.89 0.876 . . . . 0.0 109.866 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 117.2 4.91 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.39 2.727 . . . . 0.0 111.054 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.59 -23.9 63.6 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -61.02 -18.08 55.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.068 1.347 . . . . 0.0 113.954 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.93 8.52 9.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.115 1.366 . . . . 0.0 113.584 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.93 81.69 8.2 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.115 1.766 . . . . 0.0 109.25 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.2 -7.26 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.208 2.605 . . . . 0.0 113.079 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -108.75 12.88 25.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.805 1.642 . . . . 0.0 113.126 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -56.11 -45.08 79.62 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.871 -1.143 . . . . 0.0 112.256 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.86 -19.1 41.67 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.733 1.213 . . . . 0.0 113.265 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.43 -23.37 53.94 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.348 1.059 . . . . 0.0 112.344 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -98.57 -40.2 8.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.037 0.935 . . . . 0.0 113.413 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.412 HD13 ' HE3' ' B' ' 121' ' ' LYS . 30.9 mm -105.51 114.78 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.754 1.161 . . . . 0.0 111.071 -175.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -78.79 -27.23 44.45 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -137.92 77.19 38.45 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.436 1.494 . . . . 0.0 110.335 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.56 153.35 30.41 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.152 3.234 . . . . 0.0 112.329 -172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttm -166.0 165.2 18.14 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.005 1.722 . . . . 0.0 112.198 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -164.98 168.03 17.88 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.367 2.667 . . . . 0.0 110.215 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.06 -29.86 70.78 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -72.41 -38.45 68.4 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.251 0.932 . . . . 0.0 111.016 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 41.3 m -59.98 -46.36 89.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 76.6 mtp -58.95 -46.64 87.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.058 0.845 . . . . 0.0 112.013 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.38 -42.29 86.72 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.679 0.792 . . . . 0.0 112.958 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.78 -44.01 94.63 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.76 0.824 . . . . 0.0 111.895 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.43 -35.75 78.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.304 0.642 . . . . 0.0 112.183 172.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.36 -42.95 61.61 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.585 -1.322 . . . . 0.0 112.136 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.33 -10.96 60.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.953 0.901 . . . . 0.0 113.285 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.61 8.51 41.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.092 1.757 . . . . 0.0 112.947 171.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 62.58 24.85 14.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.074 1.749 . . . . 0.0 113.778 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -67.91 -24.66 65.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.303 1.041 . . . . 0.0 112.98 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -90.89 106.94 18.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 111.845 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.38 -8.35 19.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.446 1.499 . . . . 0.0 112.865 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -143.42 141.37 30.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.678 1.991 . . . . 0.0 109.803 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -66.57 -26.36 67.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 122.889 0.476 . . . . 0.0 111.759 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.04 -45.75 79.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.67 -33.22 62.44 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.07 0.948 . . . . 0.0 112.274 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.3 -38.19 81.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.645 1.178 . . . . 0.0 111.927 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.45 -41.77 69.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.755 1.222 . . . . 0.0 111.629 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.954 -1.091 . . . . 0.0 112.94 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.68 -26.6 60.81 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.547 -0.72 . . . . 0.0 112.654 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -70.1 -43.56 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -57.62 -34.62 69.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.182 0.593 . . . . 0.0 111.889 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.16 -45.09 94.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.046 0.839 . . . . 0.0 111.923 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 99.1 mt -59.28 -47.25 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.897 0.879 . . . . 0.0 110.947 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.77 -52.99 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.168 0.987 . . . . 0.0 110.588 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 71.9 m -62.0 -34.79 76.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.87 -19.52 65.75 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.163 -0.96 . . . . 0.0 113.244 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.57 -56.37 4.59 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.61 -26.05 63.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.158 1.783 . . . . 0.0 113.624 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.412 ' HE3' HD13 ' B' ' 84' ' ' ILE . 7.9 ttpp -85.3 -11.79 53.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -142.97 60.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.522 1.929 . . . . 0.0 112.491 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -156.19 -173.36 4.47 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.917 1.287 . . . . 0.0 112.632 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.69 152.95 41.5 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.081 1.352 . . . . 0.0 110.376 170.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -74.08 8.98 1.76 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -169.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -120.62 -4.74 9.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.797 1.639 . . . . 0.0 113.677 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 31.1 p -84.9 161.26 19.92 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.089 0.956 . . . . 0.0 112.309 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.6 tt -60.98 -40.95 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.639 0.776 . . . . 0.0 111.551 169.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.68 -35.06 76.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.778 1.231 . . . . 0.0 112.493 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -60.15 -52.95 63.16 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.787 0.835 . . . . 0.0 111.308 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -67.69 -30.45 69.98 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.7 89.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.223 0.92 . . . . 0.0 112.472 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.75 78.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.435 0.694 . . . . 0.0 112.449 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.89 -43.18 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -67.69 -32.01 72.37 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.683 0.793 . . . . 0.0 112.691 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.21 -44.04 80.57 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.738 . . . . 0.0 111.475 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -60.35 -28.27 68.03 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -83.82 -69.36 0.64 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.999 1.319 . . . . 0.0 111.539 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.83 -41.55 71.36 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.558 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -80.79 -18.61 69.84 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-N 118.779 0.718 . . . . 0.0 112.872 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.22 -34.45 89.96 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 117.977 0.889 . . . . 0.0 111.03 170.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.22 95.17 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.783 0.792 . . . . 0.0 112.176 169.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.558 HG23 ' HA2' ' B' ' 140' ' ' GLY . 18.6 t -60.61 -38.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.78 0.832 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.09 -35.19 69.14 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.811 -0.556 . . . . 0.0 111.705 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -44.79 73.72 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 112.801 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -67.96 -23.95 65.11 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.46 1.104 . . . . 0.0 113.094 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.86 -30.75 12.96 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.768 0.827 . . . . 0.0 112.634 -173.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.65 -42.91 89.43 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.724 1.21 . . . . 0.0 112.237 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -58.05 -22.03 48.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -75.93 -20.93 57.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.47 1.108 . . . . 0.0 112.441 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.71 -43.07 10.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.226 1.41 . . . . 0.0 111.74 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.42 -28.63 69.39 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.94 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.69 -40.71 92.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.755 1.222 . . . . 0.0 112.498 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.46 -30.97 69.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.194 0.998 . . . . 0.0 111.786 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.3 -32.98 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.02 0.928 . . . . 0.0 111.533 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.05 -39.9 96.12 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.668 1.122 . . . . 0.0 110.888 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.05 -44.35 72.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.917 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.61 -31.28 72.23 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.409 0.549 . . . . 0.0 112.359 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -70.1 -37.49 75.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.517 1.127 . . . . 0.0 112.526 172.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.9 m -79.75 -44.38 20.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.532 1.533 . . . . 0.0 111.677 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.81 -39.43 77.55 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.77 0.828 . . . . 0.0 112.477 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.99 -12.85 60.43 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.89 -27.66 23.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.345 1.058 . . . . 0.0 111.911 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -30.43 69.6 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.886 1.221 . . . . 0.0 111.6 169.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -70.46 -20.37 62.89 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.69 -15.2 61.7 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.921 0.782 . . . . 0.0 112.595 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -90.81 6.75 43.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.494 1.518 . . . . 0.0 113.266 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -133.71 75.27 1.59 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.702 1.601 . . . . 0.0 110.853 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 75.8 p -81.38 -7.82 59.64 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.817 1.647 . . . . 0.0 114.238 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.57 -11.04 62.77 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.981 1.753 . . . . 0.0 114.348 169.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 56.82 33.67 23.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.128 1.771 . . . . 0.0 113.323 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 53.7 mt -77.0 -26.07 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.494 1.518 . . . . 0.0 111.736 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.89 -12.99 9.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.348 1.859 . . . . 0.0 112.877 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.3 m -53.43 -27.97 27.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.78 1.632 . . . . 0.0 113.807 169.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -138.25 158.85 70.12 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.622 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.79 153.7 77.02 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 124.445 3.43 . . . . 0.0 111.951 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -62.24 127.24 89.34 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 123.938 0.895 . . . . 0.0 110.019 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.34 114.4 3.62 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.389 2.726 . . . . 0.0 110.867 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.9 -25.67 64.72 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.146 0.578 . . . . 0.0 112.28 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -61.14 -17.94 55.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.285 1.434 . . . . 0.0 113.933 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -123.61 6.0 8.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.151 1.381 . . . . 0.0 113.679 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 t -148.84 76.24 9.74 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.006 1.722 . . . . 0.0 109.664 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.58 -11.24 20.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.084 2.523 . . . . 0.0 113.445 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -103.5 7.43 37.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.331 1.452 . . . . 0.0 113.072 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -57.49 -49.01 77.68 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.036 -1.04 . . . . 0.0 112.107 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.41 -18.66 60.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.833 1.253 . . . . 0.0 113.231 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.06 -16.1 59.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.309 1.043 . . . . 0.0 112.774 173.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.32 -32.07 6.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.983 1.313 . . . . 0.0 113.572 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 mm -99.74 110.8 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.911 1.284 . . . . 0.0 110.081 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -30.57 48.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 0.0 113.12 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -132.51 70.52 79.54 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.022 1.729 . . . . 0.0 111.939 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.57 144.26 39.75 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.259 2.64 . . . . 0.0 111.609 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.402 ' HG3' HD23 ' B' ' 114' ' ' LEU . 69.9 mmm -152.05 168.16 26.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.76 2.024 . . . . 0.0 111.728 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -166.77 164.74 16.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.269 2.228 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.25 -27.43 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.86 -41.44 82.9 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.059 0.845 . . . . 0.0 111.365 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -64.94 -42.61 94.51 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.237 1.015 . . . . 0.0 110.919 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.5 mmm -57.36 -49.27 76.7 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.129 0.422 . . . . 0.0 110.788 173.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.43 -44.4 89.11 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.522 -0.736 . . . . 0.0 112.81 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.75 -43.03 90.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.102 0.961 . . . . 0.0 112.215 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.85 -35.76 77.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.778 0.831 . . . . 0.0 111.8 172.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.37 -42.01 62.71 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.76 -1.213 . . . . 0.0 111.84 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.53 -19.17 63.37 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.604 1.161 . . . . 0.0 112.815 172.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.33 6.55 40.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.325 1.85 . . . . 0.0 113.25 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 62.78 26.87 15.82 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.938 1.695 . . . . 0.0 113.835 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -66.86 -25.78 66.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.996 0.918 . . . . 0.0 112.853 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -89.88 109.61 20.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.681 1.193 . . . . 0.0 111.411 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.09 -10.62 16.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.147 1.379 . . . . 0.0 113.154 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.53 148.13 32.87 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.402 1.881 . . . . 0.0 109.852 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -66.48 -28.32 68.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.029 0.531 . . . . 0.0 112.087 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.45 -44.06 93.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.924 1.289 . . . . 0.0 112.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -72.2 -35.19 68.87 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.947 0.794 . . . . 0.0 112.241 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -67.12 -37.04 83.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.397 1.079 . . . . 0.0 111.759 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.67 -37.72 65.18 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 111.95 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.2 -34.68 71.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.782 -1.199 . . . . 0.0 113.557 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -69.44 -29.18 66.83 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.543 -0.723 . . . . 0.0 112.14 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -66.34 -44.46 83.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.303 -0.873 . . . . 0.0 111.185 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -59.07 -36.5 75.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.691 -0.631 . . . . 0.0 111.994 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' B' ' 88' ' ' MET . 4.2 tp -63.58 -44.01 95.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.038 0.935 . . . . 0.0 111.613 174.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.02 -44.68 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.268 1.027 . . . . 0.0 111.643 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 66.0 t -57.75 -51.98 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.596 0.758 . . . . 0.0 110.651 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 t -59.84 -36.49 76.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.099 0.96 . . . . 0.0 113.365 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.57 -21.59 66.14 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.933 -1.104 . . . . 0.0 113.7 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.33 -52.52 9.04 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.723 0.692 . . . . 0.0 110.278 170.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.97 -24.75 67.2 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.102 1.361 . . . . 0.0 112.895 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -79.64 -18.3 51.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.715 . . . . 0.0 113.887 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -146.11 83.08 1.62 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.671 1.188 . . . . 0.0 112.802 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -169.71 -179.91 3.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.402 2.281 . . . . 0.0 111.092 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.63 154.98 18.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.59 1.156 . . . . 0.0 111.04 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -70.13 2.46 3.64 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 -169.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -138.61 14.0 2.74 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.969 1.308 . . . . 0.0 114.216 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.3 p -87.01 161.38 18.22 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.19 -0.944 . . . . 0.0 113.315 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 13.8 tt -59.52 -35.84 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.168 0.987 . . . . 0.0 111.216 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -72.92 -36.8 67.32 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 125.129 1.372 . . . . 0.0 112.966 -174.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.74 -51.11 71.18 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.236 0.541 . . . . 0.0 109.674 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.03 -31.68 73.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.26 1.024 . . . . 0.0 112.961 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.34 94.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.494 1.043 . . . . 0.0 112.215 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.63 75.04 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.484 0.713 . . . . 0.0 112.079 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.3 -39.61 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.141 0.576 . . . . 0.0 111.018 171.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -65.76 -39.48 91.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.734 0.813 . . . . 0.0 112.109 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.68 -49.22 77.22 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.86 0.754 . . . . 0.0 111.542 170.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.9 -30.32 67.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.082 0.953 . . . . 0.0 113.484 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.07 -66.87 0.88 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.962 1.305 . . . . 0.0 111.826 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -76.29 -28.79 57.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -89.96 -17.36 54.07 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 119.158 0.89 . . . . 0.0 112.581 169.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.4 -35.93 92.39 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-N 118.349 1.075 . . . . 0.0 110.627 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.0 93.69 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.099 0.96 . . . . 0.0 112.419 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.534 HG23 ' HA2' ' B' ' 140' ' ' GLY . 25.9 t -63.2 -37.81 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.667 1.187 . . . . 0.0 110.998 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.22 -33.12 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.982 0.913 . . . . 0.0 111.573 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -67.96 -52.88 30.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.401 1.08 . . . . 0.0 112.827 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -60.5 -33.68 72.97 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.11 0.964 . . . . 0.0 112.513 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.46 -25.41 23.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 0.0 113.001 -169.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -59.73 -32.53 70.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.503 1.121 . . . . 0.0 111.955 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.34 -30.01 69.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.301 1.04 . . . . 0.0 113.208 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.5 -19.89 60.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.857 1.263 . . . . 0.0 112.614 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.11 -43.6 10.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 111.933 170.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.85 -30.04 71.02 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.853 0.861 . . . . 0.0 113.309 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.0 -38.04 75.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 112.514 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.03 -15.53 61.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.545 1.138 . . . . 0.0 113.531 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 68.6 mt -78.9 -31.22 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.716 1.206 . . . . 0.0 110.696 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.93 -46.69 86.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.406 -0.809 . . . . 0.0 110.42 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.71 -45.8 74.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.723 0.409 . . . . 0.0 111.633 -172.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -64.15 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.394 0.543 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.2 -22.19 42.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.584 1.154 . . . . 0.0 113.091 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.1 m -82.39 -44.84 15.62 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.822 1.249 . . . . 0.0 111.077 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.53 -37.96 68.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 113.42 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.46 -21.22 59.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -80.26 -26.51 38.96 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.311 -0.868 . . . . 0.0 111.94 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -28.22 69.36 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.224 0.92 . . . . 0.0 111.9 170.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.89 -22.5 59.7 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.73 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -8.38 54.83 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.469 0.708 . . . . 0.0 112.446 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -102.18 2.64 37.52 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.132 1.773 . . . . 0.0 112.686 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -118.9 78.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.907 2.083 . . . . 0.0 109.222 170.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.7 p -82.13 -7.57 59.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.138 1.375 . . . . 0.0 114.111 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.26 65.31 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.015 1.769 . . . . 0.0 113.808 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 61.97 25.91 15.6 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.513 1.925 . . . . 0.0 112.995 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.55 -35.84 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.781 1.632 . . . . 0.0 112.262 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -110.38 -19.35 12.99 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.319 1.448 . . . . 0.0 112.275 -175.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -58.98 -19.91 47.82 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.511 1.124 . . . . 0.0 113.784 172.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -127.85 151.54 75.79 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 125.619 1.567 . . . . 0.0 111.954 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.28 148.68 68.71 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.955 3.77 . . . . 0.0 112.53 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.96 124.95 88.08 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.858 0.863 . . . . 0.0 110.15 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.16 119.64 6.13 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.499 2.799 . . . . 0.0 111.16 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.36 -22.03 61.95 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.6 p -62.01 -19.62 63.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.969 1.308 . . . . 0.0 114.046 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -121.22 7.84 10.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.26 1.424 . . . . 0.0 113.383 170.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 32.6 t -146.07 80.29 10.39 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.04 1.736 . . . . 0.0 109.592 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.68 -9.24 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.115 2.544 . . . . 0.0 113.085 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -110.0 11.85 23.86 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.613 1.565 . . . . 0.0 113.227 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.37 -41.47 65.89 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.041 -1.037 . . . . 0.0 111.686 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.55 -18.91 50.74 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.138 1.775 . . . . 0.0 113.091 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.44 -33.98 23.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.57 1.148 . . . . 0.0 112.103 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -87.28 -29.17 21.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -116.94 121.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.159 0.984 . . . . 0.0 110.987 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.63 -31.03 61.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.023 1.329 . . . . 0.0 113.295 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.51 71.4 71.42 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.227 1.811 . . . . 0.0 110.931 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.39 131.34 18.79 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.646 2.898 . . . . 0.0 110.351 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 14.1 ttt -160.28 154.82 23.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.664 1.185 . . . . 0.0 111.877 -170.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.45 172.72 14.0 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.013 2.125 . . . . 0.0 111.012 -174.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -57.02 -30.98 64.66 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -68.75 -38.46 80.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.552 0.615 . . . . 0.0 111.646 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -65.61 -38.66 90.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.088 0.955 . . . . 0.0 111.208 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 25.9 mmm -59.01 -52.19 66.82 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.612 0.642 . . . . 0.0 110.909 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -57.45 -44.61 84.9 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.86 -45.28 94.47 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.073 0.949 . . . . 0.0 111.972 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -62.84 -34.61 77.7 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -72.83 -42.6 63.62 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.528 -0.732 . . . . 0.0 111.807 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.21 -13.14 62.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.806 0.842 . . . . 0.0 113.002 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.5 3.08 48.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.119 1.767 . . . . 0.0 112.961 170.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 63.94 25.21 13.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.845 2.058 . . . . 0.0 113.936 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -74.59 -14.04 60.73 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -90.93 104.33 16.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.83 1.252 . . . . 0.0 111.005 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.17 -10.05 20.77 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.954 1.302 . . . . 0.0 113.005 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -145.04 146.14 31.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.622 1.969 . . . . 0.0 109.46 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.76 -25.74 66.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.522 0.329 . . . . 0.0 111.817 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.45 -48.58 71.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.291 1.436 . . . . 0.0 112.374 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.06 -33.79 65.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.521 0.728 . . . . 0.0 112.505 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.05 -37.64 84.42 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.599 0.759 . . . . 0.0 111.728 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.97 -43.23 62.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.598 1.159 . . . . 0.0 111.479 173.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.07 -35.4 80.43 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.109 -0.994 . . . . 0.0 112.98 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.5 -21.08 61.26 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.575 -0.703 . . . . 0.0 112.63 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -76.34 -42.4 45.0 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.22 -0.925 . . . . 0.0 109.734 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -59.8 -32.29 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.59 -0.693 . . . . 0.0 112.408 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.1 -47.31 85.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.405 1.082 . . . . 0.0 111.125 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.87 -44.45 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.152 0.981 . . . . 0.0 111.204 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.75 -52.96 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.836 0.854 . . . . 0.0 110.606 174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.5 t -60.93 -37.53 82.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.349 1.059 . . . . 0.0 112.804 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.08 -27.52 69.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.9 -49.66 23.8 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.41 -0.806 . . . . 0.0 111.219 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 55.3 mt -64.36 -26.48 68.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.537 1.135 . . . . 0.0 112.519 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.53 -19.27 49.96 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.718 1.607 . . . . 0.0 114.025 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -139.25 62.31 1.53 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.858 1.263 . . . . 0.0 112.737 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.16 163.45 20.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.118 1.367 . . . . 0.0 111.898 172.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.3 165.38 24.95 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.958 0.885 . . . . 0.0 112.29 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -73.93 -1.04 18.01 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -150.18 19.12 0.86 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -169.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 35.7 p -89.84 163.2 15.12 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.225 1.41 . . . . 0.0 113.196 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 tt -56.24 -45.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.61 1.164 . . . . 0.0 111.778 170.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -67.19 -45.03 78.14 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.22 1.008 . . . . 0.0 112.024 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -58.27 -47.07 84.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.837 0.855 . . . . 0.0 111.221 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -73.89 -30.51 62.65 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.538 0.735 . . . . 0.0 112.531 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.14 74.17 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.924 -1.11 . . . . 0.0 112.613 171.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.12 -36.22 74.65 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.505 -0.747 . . . . 0.0 112.581 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.59 -40.63 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 170.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -60.16 -42.79 95.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.874 0.87 . . . . 0.0 111.714 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.9 -47.66 84.87 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.083 0.953 . . . . 0.0 112.299 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -59.05 -33.56 70.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.7 0.8 . . . . 0.0 113.125 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.45 -65.94 0.95 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.981 1.312 . . . . 0.0 111.332 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.45 -36.34 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -87.75 -18.1 57.06 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.236 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.51 89.42 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.387 1.094 . . . . 0.0 110.951 169.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.77 99.36 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.7 0.8 . . . . 0.0 112.054 169.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.563 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.4 t -62.87 -39.28 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 65.5 mt -70.72 -37.26 73.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.328 0.651 . . . . 0.0 111.273 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.33 -47.02 68.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.527 1.131 . . . . 0.0 112.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.17 -33.32 75.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.931 0.892 . . . . 0.0 112.536 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.99 -29.73 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.872 1.269 . . . . 0.0 112.87 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.42 -30.95 61.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.415 1.486 . . . . 0.0 112.613 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -59.71 -28.67 67.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -74.77 -17.06 60.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.367 1.067 . . . . 0.0 112.84 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.47 -40.38 10.87 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.733 1.213 . . . . 0.0 112.083 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.33 -26.1 62.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 O-C-N 120.932 -1.105 . . . . 0.0 113.783 174.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.024 0 CA-C-O 119.875 -0.403 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -58.12 -37.48 74.67 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.496 1.119 . . . . 0.0 112.481 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.55 -16.44 61.26 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.43 1.092 . . . . 0.0 113.603 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.69 -31.99 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.526 1.13 . . . . 0.0 110.656 170.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.23 -48.65 79.03 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.839 -0.538 . . . . 0.0 110.013 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.23 -45.89 75.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.865 0.466 . . . . 0.0 111.877 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -63.97 -33.12 75.0 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.57 -33.0 42.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.979 0.912 . . . . 0.0 112.776 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.7 m -72.6 -40.06 66.84 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.682 1.193 . . . . 0.0 111.451 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.34 -42.14 77.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.985 0.914 . . . . 0.0 112.554 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.89 -30.25 71.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.584 0.753 . . . . 0.0 112.497 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.13 -12.53 59.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.771 0.829 . . . . 0.0 112.324 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.51 -37.63 13.75 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.181 0.9 . . . . 0.0 109.119 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.5 -31.43 72.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.825 0.85 . . . . 0.0 112.72 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.7 -16.64 64.37 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -85.1 -20.07 30.9 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.228 1.011 . . . . 0.0 112.633 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -92.34 78.14 5.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.795 1.638 . . . . 0.0 110.298 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.2 t -82.57 -3.24 55.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.061 1.344 . . . . 0.0 113.797 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.71 -11.65 57.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.806 1.67 . . . . 0.0 113.516 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.08 26.09 15.41 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.598 1.959 . . . . 0.0 113.143 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.75 -35.48 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.186 1.394 . . . . 0.0 112.18 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -109.42 -20.5 12.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.33 1.452 . . . . 0.0 111.95 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -57.37 -22.84 45.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.896 1.278 . . . . 0.0 113.907 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -132.95 153.33 80.95 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.874 1.67 . . . . 0.0 111.67 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.94 148.94 77.23 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 124.707 3.605 . . . . 0.0 113.16 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.52 123.94 80.93 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 124.098 0.959 . . . . 0.0 109.631 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.05 123.82 8.64 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.19 2.593 . . . . 0.0 111.671 -172.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.62 -14.53 61.2 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.4 t -69.24 -32.54 71.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.79 0.836 . . . . 0.0 111.756 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -87.84 -32.18 19.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.856 0.862 . . . . 0.0 111.953 172.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.73 82.97 36.96 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.597 1.159 . . . . 0.0 111.289 -174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.17 -10.96 19.46 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.177 2.584 . . . . 0.0 113.178 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -102.1 7.0 41.21 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.667 1.587 . . . . 0.0 113.455 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -55.87 -36.73 67.92 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 112.746 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.56 -20.01 61.39 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.163 1.785 . . . . 0.0 113.419 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -88.41 -17.83 29.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.815 1.246 . . . . 0.0 112.846 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -96.59 -35.18 11.16 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 112.358 170.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.02 114.41 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.434 1.494 . . . . 0.0 109.759 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -86.66 -19.32 29.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -174.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -126.05 67.97 63.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.284 1.434 . . . . 0.0 110.067 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.25 136.0 25.86 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.972 3.114 . . . . 0.0 109.903 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.9 ttt -162.26 149.92 14.2 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -148.07 173.63 12.74 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.823 2.449 . . . . 0.0 110.103 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.99 -32.36 63.87 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.18 -37.59 85.83 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 112.01 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -67.2 -41.16 86.29 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 111.298 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 86.5 mtp -63.11 -46.43 87.36 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.672 0.669 . . . . 0.0 111.338 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.05 -47.32 78.11 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.66 -0.65 . . . . 0.0 112.363 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.38 -45.42 94.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.772 0.829 . . . . 0.0 111.72 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.26 -33.05 74.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.755 0.822 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.75 -43.59 46.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.762 -1.211 . . . . 0.0 111.423 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.43 -12.57 61.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.75 5.03 41.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.314 1.845 . . . . 0.0 113.243 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 63.32 25.88 14.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.007 1.723 . . . . 0.0 113.975 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -69.34 -22.33 63.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.983 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.13 105.17 17.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.862 1.265 . . . . 0.0 111.857 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.64 -4.46 25.13 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.254 1.422 . . . . 0.0 113.087 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -153.81 151.7 29.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.651 1.58 . . . . 0.0 110.265 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -68.98 -21.1 64.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.431 0.692 . . . . 0.0 112.26 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.97 -48.96 78.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.847 0.859 . . . . 0.0 112.117 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.59 -32.95 68.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.756 0.707 . . . . 0.0 112.524 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.6 -37.62 82.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.783 0.833 . . . . 0.0 111.762 175.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.27 -43.45 61.0 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.609 1.163 . . . . 0.0 111.479 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.53 -32.27 73.51 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.25 -0.906 . . . . 0.0 113.192 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.42 -28.87 63.24 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.632 -0.667 . . . . 0.0 112.626 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.3 -43.9 76.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.239 -0.913 . . . . 0.0 110.321 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -58.74 -36.19 73.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.92 0.488 . . . . 0.0 111.89 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.33 -44.89 96.43 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.148 0.885 . . . . 0.0 111.697 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.69 -45.44 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.797 0.839 . . . . 0.0 111.184 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.88 -55.0 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.818 0.847 . . . . 0.0 110.578 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -63.39 -35.84 81.73 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.37 -21.67 66.42 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.542 1.064 . . . . 0.0 113.173 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.0 t -77.51 -54.48 6.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.215 0.606 . . . . 0.0 110.237 169.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.87 -26.91 69.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.147 1.379 . . . . 0.0 113.386 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.97 -23.27 60.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.96 1.704 . . . . 0.0 114.194 173.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -147.13 81.09 1.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.979 1.712 . . . . 0.0 111.738 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -168.92 -179.6 3.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.102 2.161 . . . . 0.0 111.938 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.15 148.34 25.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.164 1.385 . . . . 0.0 110.723 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.46 8.16 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -169.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -144.37 11.25 1.49 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 -169.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.5 p -93.37 164.6 13.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.034 0.934 . . . . 0.0 113.419 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.05 -41.67 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.467 1.107 . . . . 0.0 110.629 169.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.92 -38.48 76.24 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.98 1.312 . . . . 0.0 112.319 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.95 -54.37 45.84 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.839 0.856 . . . . 0.0 110.575 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -60.63 -34.04 73.67 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.48 87.51 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.42 1.009 . . . . 0.0 112.305 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.34 80.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.048 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.44 -44.99 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.216 0.606 . . . . 0.0 110.671 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -69.36 -35.61 76.02 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.73 -44.69 96.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.461 1.028 . . . . 0.0 111.889 170.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.12 0.968 . . . . 0.0 113.18 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.0 -65.71 0.98 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.932 1.293 . . . . 0.0 111.449 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.11 -49.08 73.61 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.678 0.791 . . . . 0.0 112.591 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -84.48 -10.08 80.38 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-O 119.614 -0.548 . . . . 0.0 113.64 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.5 92.11 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 118.272 1.036 . . . . 0.0 110.894 170.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.29 83.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.603 0.761 . . . . 0.0 112.006 169.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.456 HG23 ' HA2' ' B' ' 140' ' ' GLY . 51.7 t -63.02 -36.89 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.243 1.017 . . . . 0.0 111.977 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.13 -37.32 66.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.487 0.715 . . . . 0.0 111.571 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.69 -46.05 73.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.715 0.806 . . . . 0.0 112.652 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -66.12 -33.3 75.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.024 0.93 . . . . 0.0 112.281 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.7 -28.45 20.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.038 0.935 . . . . 0.0 112.667 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.32 -28.62 68.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.599 1.16 . . . . 0.0 112.415 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.82 -30.18 68.75 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.443 1.097 . . . . 0.0 113.096 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -72.6 -24.53 61.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.175 0.99 . . . . 0.0 112.501 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.01 -41.88 16.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.256 1.022 . . . . 0.0 112.049 170.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.86 -34.6 78.51 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.123 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.95 -38.04 78.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.377 1.089 . . . . 0.0 113.124 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.35 -17.35 59.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.344 1.058 . . . . 0.0 112.656 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.19 -28.5 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.591 1.156 . . . . 0.0 111.03 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.19 -56.3 17.84 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.41 -0.806 . . . . 0.0 109.762 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.26 -40.41 96.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.011 0.524 . . . . 0.0 112.371 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -64.85 -33.7 76.64 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -76.07 -34.98 59.58 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -64.17 -45.4 88.58 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.458 1.103 . . . . 0.0 111.286 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.65 -34.83 71.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.79 0.836 . . . . 0.0 113.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -71.91 -23.4 61.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.522 0.729 . . . . 0.0 112.557 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -83.24 -25.37 31.74 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.225 -0.922 . . . . 0.0 112.462 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.29 -27.88 68.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.738 1.154 . . . . 0.0 111.383 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.33 -21.92 61.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.588 0.755 . . . . 0.0 112.9 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -66.61 -20.73 66.07 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.798 0.726 . . . . 0.0 111.893 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -97.57 2.45 50.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.47 1.508 . . . . 0.0 114.035 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.91 85.15 2.22 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.09 1.756 . . . . 0.0 110.332 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.0 t -88.65 -3.84 58.69 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.986 1.314 . . . . 0.0 114.102 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.51 -12.91 66.28 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.147 1.356 . . . . 0.0 113.155 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 62.95 20.76 12.47 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.902 2.081 . . . . 0.0 113.779 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.87 -35.12 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.869 1.268 . . . . 0.0 111.893 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -108.41 -19.55 13.42 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.718 1.207 . . . . 0.0 112.005 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 38.4 m -54.57 -27.52 39.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.587 1.555 . . . . 0.0 114.282 172.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.78 153.64 81.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 125.86 1.664 . . . . 0.0 112.376 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.46 149.34 68.66 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 124.851 3.701 . . . . 0.0 113.164 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.93 126.16 91.3 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.132 0.973 . . . . 0.0 109.704 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.11 114.94 4.13 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.209 2.606 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.96 -23.23 64.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.008 0.523 . . . . 0.0 112.397 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.0 m -60.74 -18.31 53.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.127 1.371 . . . . 0.0 113.954 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.82 7.04 9.88 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.09 1.356 . . . . 0.0 113.742 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.7 t -148.65 80.61 8.18 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.75 -9.75 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.211 2.608 . . . . 0.0 113.28 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -104.44 6.2 34.75 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.323 1.449 . . . . 0.0 113.601 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -56.14 -40.89 74.51 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.4 mt -75.79 -19.82 58.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.156 1.383 . . . . 0.0 113.219 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.23 -22.13 36.03 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.561 1.144 . . . . 0.0 112.702 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -103.83 -24.14 13.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.2 122.48 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.707 1.203 . . . . 0.0 111.035 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.8 -33.55 58.0 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -138.63 72.87 42.28 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.98 1.312 . . . . 0.0 111.894 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.56 125.03 9.76 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 -172.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 49.8 mmm -135.69 170.57 15.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.337 1.855 . . . . 0.0 111.706 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.35 169.37 22.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.218 2.207 . . . . 0.0 110.521 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -54.8 -38.51 67.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.434 0.693 . . . . 0.0 112.838 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -71.17 -30.59 66.61 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 45.1 m -67.08 -45.49 77.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.441 0.696 . . . . 0.0 110.706 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 18.2 ptm -69.77 -29.97 67.43 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -61.61 -47.91 83.3 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.199 -0.938 . . . . 0.0 111.926 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -62.24 -45.95 91.04 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.124 0.969 . . . . 0.0 111.547 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.58 -28.79 68.79 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.1 -40.97 26.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.942 0.897 . . . . 0.0 111.755 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.63 -16.45 62.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.108 0.963 . . . . 0.0 113.053 172.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.13 -3.28 21.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.009 1.724 . . . . 0.0 113.931 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 69.15 50.9 0.54 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.265 2.226 . . . . 0.0 113.205 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -16.37 28.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -82.86 -71.38 0.5 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.89 1.223 . . . . 0.0 113.417 -172.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 66.26 -2.05 1.07 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.165 2.586 . . . . 0.0 115.235 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -147.07 138.45 24.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.135 2.174 . . . . 0.0 108.655 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.6 -28.0 67.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.42 -44.83 89.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.635 1.174 . . . . 0.0 112.379 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.16 -37.24 75.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.589 0.756 . . . . 0.0 112.051 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.15 -37.99 84.74 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.214 1.005 . . . . 0.0 112.11 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -77.03 -33.6 57.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.311 1.444 . . . . 0.0 112.209 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -68.32 -35.32 77.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 113.231 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.44 -40.42 93.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.408 0.683 . . . . 0.0 111.55 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.58 -44.27 94.53 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.472 -0.767 . . . . 0.0 111.64 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -57.49 -37.04 72.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.033 0.533 . . . . 0.0 112.115 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.269 1.428 . . . . 0.0 111.573 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.33 -40.42 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.217 1.007 . . . . 0.0 111.215 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.2 -58.81 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.588 0.755 . . . . 0.0 111.039 170.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 83.9 p -66.67 -32.05 73.12 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.67 -27.52 68.98 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.088 -1.008 . . . . 0.0 113.071 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -72.23 -53.14 13.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.658 0.663 . . . . 0.0 110.106 171.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.28 -21.82 62.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.774 1.63 . . . . 0.0 113.503 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -78.59 -50.12 12.07 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.223 1.409 . . . . 0.0 113.806 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -110.88 81.06 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.473 1.109 . . . . 0.0 111.587 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.75 -166.27 0.3 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.625 2.37 . . . . 0.0 110.701 -174.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.09 33.7 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.049 0.928 . . . . 0.0 111.393 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -76.76 12.98 1.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.192 2.197 . . . . 0.0 114.263 -169.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -138.11 16.64 2.81 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.241 1.816 . . . . 0.0 113.334 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.0 p -110.66 162.04 15.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.454 1.102 . . . . 0.0 112.996 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.2 tt -61.79 -42.42 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.426 1.091 . . . . 0.0 111.106 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -69.32 -37.33 77.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.621 1.169 . . . . 0.0 112.33 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.03 -54.75 43.21 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.566 1.147 . . . . 0.0 110.794 172.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.54 -31.65 72.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.759 0.824 . . . . 0.0 112.955 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.14 79.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.28 0.945 . . . . 0.0 112.765 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.79 71.32 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 112.306 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.45 -41.79 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.346 0.658 . . . . 0.0 110.571 170.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -64.23 -41.85 96.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.833 0.853 . . . . 0.0 112.215 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.19 -42.72 99.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.953 0.901 . . . . 0.0 112.63 173.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -57.59 -30.77 65.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.09 0.956 . . . . 0.0 113.021 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -86.81 -63.69 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.957 1.303 . . . . 0.0 111.429 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.66 -48.53 63.73 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -170.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -77.94 -12.25 84.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 121.732 -0.605 . . . . 0.0 112.665 175.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.25 -37.03 93.53 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 117.984 0.892 . . . . 0.0 112.035 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.436 HG23 ' HA2' ' B' ' 140' ' ' GLY . 60.6 t -61.12 -38.23 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.761 0.824 . . . . 0.0 111.468 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.07 -33.56 65.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.708 0.803 . . . . 0.0 111.653 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -69.0 -50.76 46.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.275 1.03 . . . . 0.0 113.249 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -63.04 -24.74 68.05 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.355 1.062 . . . . 0.0 112.869 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.02 -28.44 13.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.776 0.83 . . . . 0.0 112.764 -173.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -62.31 -35.94 80.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.506 1.122 . . . . 0.0 112.551 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -20.85 63.97 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.53 -21.78 57.66 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.701 1.2 . . . . 0.0 112.499 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -91.03 -41.58 11.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.918 1.287 . . . . 0.0 112.266 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -31.13 72.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.159 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -61.48 -42.88 99.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.582 1.153 . . . . 0.0 112.47 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.95 -31.56 72.22 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.146 0.978 . . . . 0.0 111.32 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.32 -32.58 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.962 0.905 . . . . 0.0 112.194 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.6 mt -54.94 -43.9 73.81 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.369 0.986 . . . . 0.0 110.213 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.24 -36.22 79.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.5 0.72 . . . . 0.0 111.478 -173.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -58.69 -51.24 70.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.466 0.706 . . . . 0.0 110.977 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.63 -30.77 69.56 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.498 0.719 . . . . 0.0 112.936 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -74.46 -48.05 29.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.719 1.208 . . . . 0.0 111.222 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.4 -39.69 84.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.943 0.792 . . . . 0.0 112.418 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.59 -25.77 65.05 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.24 -32.29 49.63 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 111.808 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.88 -31.73 72.04 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.679 1.127 . . . . 0.0 112.237 170.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.23 -23.23 61.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.49 -15.53 59.87 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.92 0.782 . . . . 0.0 112.63 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -87.54 -1.23 57.8 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.693 1.197 . . . . 0.0 113.805 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -119.14 80.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 109.894 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -83.38 -6.1 59.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.786 1.234 . . . . 0.0 113.93 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.95 -11.2 61.88 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.559 1.552 . . . . 0.0 113.807 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.09 31.36 19.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.201 1.8 . . . . 0.0 113.214 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.23 -29.96 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 111.597 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -115.42 -14.84 11.57 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.772 . . . . 0.0 112.373 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.9 m -57.74 -25.77 60.89 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.206 1.402 . . . . 0.0 113.589 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -131.91 152.58 80.53 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.85 1.66 . . . . 0.0 112.24 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.32 153.67 61.45 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 124.857 3.705 . . . . 0.0 112.799 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.38 125.12 89.82 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.025 0.93 . . . . 0.0 109.926 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.5 116.48 4.73 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.364 2.71 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.26 -21.0 61.44 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -61.0 -23.73 65.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.365 1.066 . . . . 0.0 113.205 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -115.98 6.06 14.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.201 1.401 . . . . 0.0 114.038 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.9 t -147.6 82.03 8.26 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.82 1.648 . . . . 0.0 108.947 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.98 -7.03 15.32 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.187 2.592 . . . . 0.0 113.049 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -108.08 12.39 26.87 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.87 1.668 . . . . 0.0 113.059 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -55.41 -41.67 73.06 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.704 -1.247 . . . . 0.0 112.468 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.7 mt -78.43 -19.15 53.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.219 1.408 . . . . 0.0 113.468 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.96 -24.26 58.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.039 0.935 . . . . 0.0 112.351 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -99.59 -30.97 11.83 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.255 1.022 . . . . 0.0 113.417 173.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.2 mm -118.55 111.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 110.892 -174.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -76.11 -29.51 57.9 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.544 1.138 . . . . 0.0 113.598 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -136.14 86.45 25.49 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 126.011 1.725 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.31 145.14 16.76 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.371 2.714 . . . . 0.0 112.11 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 44.9 ttm -158.12 153.17 25.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -147.87 169.77 19.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 109.722 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -58.51 -29.7 66.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.85 -39.59 93.8 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.492 0.717 . . . . 0.0 112.326 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.2 m -63.76 -43.51 96.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.867 . . . . 0.0 110.885 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.9 mtp -62.89 -45.05 94.37 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.796 0.271 . . . . 0.0 111.564 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -58.16 -42.2 85.47 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -64.6 -46.24 83.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.825 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -62.74 -33.73 75.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -75.23 -42.92 54.29 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.264 1.026 . . . . 0.0 111.582 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.87 -15.99 62.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.089 0.955 . . . . 0.0 113.22 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.25 6.76 43.05 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.379 1.872 . . . . 0.0 113.363 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 63.08 30.05 16.21 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 113.954 172.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -79.06 -14.57 59.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.942 1.297 . . . . 0.0 113.935 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -97.07 106.91 19.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.926 1.29 . . . . 0.0 111.245 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -7.66 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.853 1.261 . . . . 0.0 113.128 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -145.17 146.2 31.67 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.556 1.942 . . . . 0.0 109.779 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.96 -27.16 67.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.908 0.483 . . . . 0.0 112.161 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -57.3 -44.66 84.31 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.097 1.359 . . . . 0.0 112.832 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.5 -34.59 65.36 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.617 0.767 . . . . 0.0 112.336 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -67.97 -37.34 81.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.299 1.04 . . . . 0.0 111.65 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.44 -40.11 67.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.997 1.319 . . . . 0.0 111.924 173.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.18 -31.68 71.39 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.027 -1.046 . . . . 0.0 113.108 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.44 -29.86 65.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.558 -0.714 . . . . 0.0 112.399 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.09 -43.52 78.33 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.917 -1.114 . . . . 0.0 111.013 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -57.84 -31.33 66.54 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.942 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.9 -42.68 85.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.211 0.914 . . . . 0.0 112.155 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.7 -44.91 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.222 1.009 . . . . 0.0 111.093 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.94 -54.02 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.236 0.614 . . . . 0.0 110.483 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -61.5 -36.83 81.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 113.05 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -40.13 52.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.965 1.306 . . . . 0.0 112.904 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.2 t -78.32 -34.4 48.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.892 -0.505 . . . . 0.0 111.908 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.39 -21.88 52.51 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.087 0.955 . . . . 0.0 112.187 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -80.5 -24.58 39.3 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.632 1.573 . . . . 0.0 114.333 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -144.27 94.86 2.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.52 172.0 1.19 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.609 2.764 . . . . 0.0 110.323 172.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.51 165.68 17.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.047 0.939 . . . . 0.0 111.4 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -80.74 6.24 13.46 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.05 17.03 1.22 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.777 1.231 . . . . 0.0 113.973 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.3 p -95.21 156.95 16.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.083 1.353 . . . . 0.0 112.941 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.86 -41.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.746 1.218 . . . . 0.0 112.567 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.85 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.816 0.847 . . . . 0.0 112.517 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.33 -43.56 92.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.52 0.728 . . . . 0.0 111.053 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.21 -30.1 60.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.299 1.039 . . . . 0.0 113.063 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.32 74.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.346 0.975 . . . . 0.0 112.389 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.6 81.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.621 0.768 . . . . 0.0 112.584 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.07 -39.97 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.579 0.752 . . . . 0.0 110.492 172.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.56 -33.02 74.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.386 0.674 . . . . 0.0 112.497 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.66 -43.58 84.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.861 0.864 . . . . 0.0 111.568 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -57.71 -32.6 67.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.997 0.919 . . . . 0.0 112.742 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.52 -67.49 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.656 1.183 . . . . 0.0 111.567 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.88 -45.81 73.45 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.525 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -79.45 -13.88 82.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 121.79 -0.569 . . . . 0.0 113.421 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.79 87.79 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.088 0.944 . . . . 0.0 111.329 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.793 0.797 . . . . 0.0 111.765 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.525 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.4 t -60.07 -39.87 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.853 0.861 . . . . 0.0 110.914 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.03 -36.81 78.15 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.909 -0.494 . . . . 0.0 111.465 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -72.9 -41.28 64.76 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -65.99 -25.46 67.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.078 0.951 . . . . 0.0 112.506 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.28 13.69 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.612 0.765 . . . . 0.0 112.499 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.49 -41.94 95.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.766 1.627 . . . . 0.0 112.516 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -65.59 -17.83 64.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.05 -17.1 61.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.249 1.02 . . . . 0.0 112.825 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.54 -39.41 12.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.754 1.222 . . . . 0.0 112.578 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.59 -31.72 71.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.294 0 CA-C-O 119.298 -0.724 . . . . 0.0 114.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.82 1.31 . . . . 0.0 113.106 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.65 -16.03 60.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.195 0.998 . . . . 0.0 112.861 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.2 mt -76.24 -29.86 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.68 1.192 . . . . 0.0 110.841 170.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.17 -44.54 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.472 -0.767 . . . . 0.0 110.473 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.54 -44.75 77.54 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.141 -0.457 . . . . 0.0 111.471 -173.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -64.34 -34.64 78.61 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.443 0.565 . . . . 0.0 112.306 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -77.44 -20.25 54.81 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.8 m -87.62 -44.17 11.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.461 1.104 . . . . 0.0 111.546 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.07 -39.85 75.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.378 1.071 . . . . 0.0 112.716 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.44 -28.0 69.37 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -79.51 -21.77 44.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.842 0.857 . . . . 0.0 112.707 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.38 -27.48 60.67 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.881 1.219 . . . . 0.0 111.615 169.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.8 -21.03 63.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.563 0.619 . . . . 0.0 112.412 175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.49 -7.36 53.93 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.371 1.068 . . . . 0.0 113.014 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -102.34 -2.57 28.68 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.449 1.5 . . . . 0.0 113.095 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.23 85.26 2.15 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.45 1.9 . . . . 0.0 109.392 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.9 t -85.67 -4.81 59.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.819 1.248 . . . . 0.0 113.922 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.69 -11.73 57.67 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.413 1.482 . . . . 0.0 113.672 170.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 60.79 26.42 16.24 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.365 1.866 . . . . 0.0 113.151 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.44 -32.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.685 1.594 . . . . 0.0 112.054 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -111.05 -15.65 13.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.714 1.605 . . . . 0.0 112.612 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -56.72 -22.38 34.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.359 1.464 . . . . 0.0 113.843 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.95 156.82 79.63 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.387 1.875 . . . . 0.0 111.736 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.65 150.93 79.73 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.583 3.522 . . . . 0.0 111.859 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.96 126.72 90.64 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.698 0.799 . . . . 0.0 109.933 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.67 117.29 5.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.442 2.761 . . . . 0.0 110.851 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.72 -23.72 62.51 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.06 -18.02 59.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.944 1.298 . . . . 0.0 113.923 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.37 6.32 10.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.214 1.406 . . . . 0.0 113.815 170.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -150.72 78.24 7.58 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.245 1.818 . . . . 0.0 109.073 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.02 -11.37 16.46 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.049 2.5 . . . . 0.0 113.012 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.63 12.55 36.21 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.784 1.633 . . . . 0.0 113.012 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -55.83 -41.22 73.94 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.802 -1.187 . . . . 0.0 112.39 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.47 -19.85 55.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.026 1.331 . . . . 0.0 113.403 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.67 -27.35 50.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.106 0.963 . . . . 0.0 112.304 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -96.27 -28.89 14.3 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -118.8 112.06 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.116 1.367 . . . . 0.0 110.527 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -80.37 -26.97 38.32 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -130.41 68.39 81.26 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.81 1.644 . . . . 0.0 111.186 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.88 138.85 32.22 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.685 2.924 . . . . 0.0 111.597 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpt -153.9 162.41 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.016 1.326 . . . . 0.0 113.075 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.89 168.22 17.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 111.76 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.32 -29.8 71.05 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -66.96 -41.82 86.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.877 0.762 . . . . 0.0 110.894 173.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -68.98 -36.81 78.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.878 0.871 . . . . 0.0 111.263 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.8 mtp -56.27 -52.3 65.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.925 0.784 . . . . 0.0 110.859 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.68 -41.39 86.08 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -61.14 -46.31 91.08 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.218 1.007 . . . . 0.0 111.904 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.95 -32.74 74.41 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.833 0.853 . . . . 0.0 112.062 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -73.31 -41.74 63.18 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.461 -1.399 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.08 -12.65 60.52 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.108 0.963 . . . . 0.0 113.504 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.22 8.24 33.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.86 1.664 . . . . 0.0 112.944 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 63.88 23.54 13.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.286 1.834 . . . . 0.0 114.079 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.18 -27.77 69.29 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.49 1.116 . . . . 0.0 112.71 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -85.99 101.72 13.15 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.971 1.308 . . . . 0.0 111.525 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 61.6 mt -96.4 -20.45 18.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.768 1.227 . . . . 0.0 113.633 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -141.22 149.92 42.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.337 1.855 . . . . 0.0 110.452 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -66.64 -26.69 67.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.315 0.646 . . . . 0.0 112.715 -172.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.79 -40.83 85.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.741 1.216 . . . . 0.0 112.722 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -77.34 -33.64 55.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.609 0.763 . . . . 0.0 112.308 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.11 -38.69 88.81 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.03 0.932 . . . . 0.0 111.652 172.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.56 -43.5 69.36 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.909 1.284 . . . . 0.0 111.586 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.09 -34.88 78.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.234 -0.916 . . . . 0.0 113.054 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.17 -27.15 62.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -70.03 -43.29 71.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.588 -0.695 . . . . 0.0 110.405 169.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -59.49 -31.29 69.22 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.126 0.57 . . . . 0.0 112.144 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.7 -42.46 99.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.864 0.866 . . . . 0.0 111.934 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.14 -47.83 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.002 0.921 . . . . 0.0 110.854 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 81.2 t -60.97 -50.45 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.058 . . . . 0.0 110.413 177.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -58.75 -41.44 86.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.382 1.073 . . . . 0.0 112.42 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.06 -21.69 64.98 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.089 -1.007 . . . . 0.0 113.583 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.5 t -74.17 -55.42 6.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.935 0.789 . . . . 0.0 109.72 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.79 -23.08 67.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -81.25 -14.33 57.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.737 2.015 . . . . 0.0 113.933 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -150.7 81.09 1.34 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 112.495 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -170.83 178.63 3.43 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.342 2.257 . . . . 0.0 111.408 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.73 157.22 16.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.787 1.235 . . . . 0.0 110.779 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -66.68 -4.71 9.48 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 -169.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -143.59 16.94 1.83 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -169.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 75.3 p -83.5 163.25 20.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 112.46 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 tt -55.3 -40.84 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.743 0.817 . . . . 0.0 110.995 169.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -68.46 -41.34 80.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.834 1.254 . . . . 0.0 112.168 -175.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -58.68 -52.29 66.32 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.99 0.516 . . . . 0.0 110.422 171.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -67.66 -29.68 69.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.612 0.765 . . . . 0.0 112.733 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.8 78.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.412 1.085 . . . . 0.0 112.788 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.31 75.64 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.409 -0.807 . . . . 0.0 112.062 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.37 -39.17 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.883 -0.511 . . . . 0.0 111.089 170.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -58.54 -47.51 83.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.733 0.813 . . . . 0.0 111.596 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.02 -45.26 95.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.012 0.925 . . . . 0.0 112.367 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -57.36 -32.72 67.05 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.409 1.084 . . . . 0.0 113.22 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -91.4 -64.19 1.16 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.956 1.303 . . . . 0.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -70.27 -42.79 71.64 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -169.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.445 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.33 -11.59 81.92 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 118.756 0.707 . . . . 0.0 113.232 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.89 88.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.216 1.008 . . . . 0.0 110.973 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.92 87.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.645 0.778 . . . . 0.0 112.081 169.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.445 HG23 ' HA2' ' B' ' 140' ' ' GLY . 52.4 t -62.7 -35.34 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.144 0.978 . . . . 0.0 111.761 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.65 -35.94 60.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.269 0.627 . . . . 0.0 111.301 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -67.39 -46.17 74.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.847 0.859 . . . . 0.0 112.758 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.02 -34.49 78.56 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.01 0.924 . . . . 0.0 112.022 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.01 -26.89 21.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.644 0.777 . . . . 0.0 112.489 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -56.61 -33.82 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.791 1.236 . . . . 0.0 111.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.17 -24.89 68.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.77 -23.8 60.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.087 0.858 . . . . 0.0 112.444 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.36 13.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.472 1.109 . . . . 0.0 111.984 171.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.46 -34.01 77.22 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.456 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.8 -44.11 90.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.952 1.301 . . . . 0.0 112.514 -174.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.17 -23.03 65.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.223 1.009 . . . . 0.0 112.822 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.22 -31.54 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.445 1.098 . . . . 0.0 110.746 174.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.02 -48.18 77.36 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.653 -0.654 . . . . 0.0 110.166 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.59 -43.68 84.24 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.509 -171.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -61.89 -36.38 81.12 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.482 0.583 . . . . 0.0 112.033 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.47 -40.29 67.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.795 0.838 . . . . 0.0 112.854 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -69.39 -43.44 73.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.645 1.578 . . . . 0.0 111.523 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -57.97 -37.84 74.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.42 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.36 -22.44 62.77 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -81.77 -27.58 33.68 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.343 0.974 . . . . 0.0 111.896 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.59 -30.53 70.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.703 1.138 . . . . 0.0 111.285 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.7 -22.1 61.69 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.26 -13.69 61.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.081 0.855 . . . . 0.0 112.623 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -94.0 0.19 55.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.123 1.369 . . . . 0.0 113.13 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.09 78.05 1.68 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.909 2.083 . . . . 0.0 109.811 173.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 79.5 p -82.21 -7.96 59.63 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.187 1.395 . . . . 0.0 114.28 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.45 -10.55 67.8 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.944 1.735 . . . . 0.0 113.746 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 59.64 27.52 16.76 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.494 1.917 . . . . 0.0 113.191 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.63 -35.02 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.512 1.525 . . . . 0.0 111.725 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -112.19 -16.82 12.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.625 1.57 . . . . 0.0 112.231 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -59.02 -20.73 55.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.093 1.357 . . . . 0.0 114.104 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -129.72 154.49 80.98 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 125.906 1.682 . . . . 0.0 111.456 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -65.91 143.58 73.51 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 124.384 3.389 . . . . 0.0 112.018 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.88 124.5 64.91 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.485 0.714 . . . . 0.0 110.54 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.84 113.22 3.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.354 2.703 . . . . 0.0 110.911 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.77 -23.31 63.35 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.063 0.545 . . . . 0.0 112.386 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -61.58 -18.49 59.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.916 1.287 . . . . 0.0 113.97 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -121.37 5.56 10.19 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.271 1.428 . . . . 0.0 113.695 170.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.96 78.7 11.4 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.493 1.517 . . . . 0.0 109.712 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.9 -12.16 17.94 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.118 2.546 . . . . 0.0 113.494 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -104.16 6.2 35.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.478 1.511 . . . . 0.0 113.314 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -55.84 -44.33 77.89 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.964 -1.085 . . . . 0.0 112.147 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.72 -18.07 59.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.337 1.455 . . . . 0.0 113.19 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.31 -20.46 25.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.893 1.277 . . . . 0.0 113.069 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -105.22 -25.56 12.4 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.369 1.068 . . . . 0.0 113.333 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.59 124.05 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.007 1.323 . . . . 0.0 110.365 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.17 -30.12 48.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.477 1.111 . . . . 0.0 113.387 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -137.21 69.52 55.71 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.929 1.692 . . . . 0.0 111.4 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.0 130.64 16.94 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.635 2.89 . . . . 0.0 111.415 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 16.7 ttt -162.6 150.93 14.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.997 1.319 . . . . 0.0 112.618 -170.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -147.3 174.96 11.15 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.748 2.419 . . . . 0.0 110.859 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -59.96 -23.64 63.74 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.99 -38.93 89.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.18 0.9 . . . . 0.0 111.378 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 42.0 m -67.76 -35.98 79.68 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.979 1.312 . . . . 0.0 111.666 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 55.5 mmm -56.95 -53.83 53.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.397 0.679 . . . . 0.0 110.628 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.29 -42.18 86.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -65.51 -45.18 84.51 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.762 0.825 . . . . 0.0 112.286 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -58.45 -40.63 83.16 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.56 0.744 . . . . 0.0 111.824 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.06 -41.74 70.34 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.26 -0.9 . . . . 0.0 112.314 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.4 -12.15 59.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 0.0 113.349 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.7 7.69 32.68 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.095 1.758 . . . . 0.0 113.021 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 65.08 22.83 12.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.756 2.022 . . . . 0.0 114.2 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -68.83 -20.86 64.31 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.223 1.009 . . . . 0.0 113.279 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -87.01 104.02 15.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.877 1.271 . . . . 0.0 111.47 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 59.8 mt -99.24 -19.52 17.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.223 1.409 . . . . 0.0 113.352 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -140.48 150.04 43.28 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.592 1.957 . . . . 0.0 110.313 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -66.25 -27.7 68.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.109 0.564 . . . . 0.0 112.452 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -44.35 76.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.993 1.317 . . . . 0.0 112.508 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -73.18 -33.66 65.55 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 0.0 112.615 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -67.18 -37.33 83.53 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.708 0.803 . . . . 0.0 111.513 174.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.65 -44.17 64.8 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.511 1.124 . . . . 0.0 111.443 173.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.89 -1.131 . . . . 0.0 113.146 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -74.47 -23.64 58.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.479 -0.763 . . . . 0.0 112.391 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -69.62 -44.01 71.53 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.974 . . . . 0.0 109.421 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -58.57 -32.83 69.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.549 0.74 . . . . 0.0 112.401 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.91 -43.67 98.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.999 0.92 . . . . 0.0 111.982 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.727 0.811 . . . . 0.0 110.841 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.68 -55.55 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.823 0.849 . . . . 0.0 110.696 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.8 p -67.33 -27.04 66.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.39 -23.17 66.28 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.103 -0.998 . . . . 0.0 113.193 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.75 -53.21 8.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.774 0.715 . . . . 0.0 110.282 169.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 76.9 mt -56.46 -26.66 54.67 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.762 1.625 . . . . 0.0 113.302 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -87.24 -13.34 44.07 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.87 1.668 . . . . 0.0 114.301 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -138.29 70.03 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.685 1.594 . . . . 0.0 112.273 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.76 176.24 9.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.779 1.631 . . . . 0.0 112.247 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -114.62 162.69 16.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.095 1.358 . . . . 0.0 111.277 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.93 -0.19 2.17 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -137.13 6.42 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 51.9 p -84.36 158.63 21.08 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.085 0.857 . . . . 0.0 112.252 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.7 tt -58.41 -41.93 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 111.419 170.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.27 -38.26 81.54 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.704 1.202 . . . . 0.0 112.335 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.85 -51.8 68.1 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.176 0.99 . . . . 0.0 111.262 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -71.55 -28.7 64.03 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.588 0.755 . . . . 0.0 112.804 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.56 91.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.411 1.005 . . . . 0.0 112.344 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.75 80.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.4 0.68 . . . . 0.0 112.363 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.9 -42.27 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.192 0.597 . . . . 0.0 110.741 171.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.34 -33.31 74.97 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.558 -0.714 . . . . 0.0 112.833 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.54 -46.88 83.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.614 0.766 . . . . 0.0 111.282 169.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -59.28 -31.28 68.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.139 0.975 . . . . 0.0 113.129 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -81.13 -67.7 0.75 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.788 1.235 . . . . 0.0 111.757 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.32 -42.65 71.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -78.75 -10.29 86.32 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.607 0.64 . . . . 0.0 113.239 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.8 -36.39 92.16 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 118.139 0.97 . . . . 0.0 111.234 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.19 87.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.703 0.752 . . . . 0.0 111.695 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.446 HG23 ' HA2' ' B' ' 140' ' ' GLY . 40.6 t -61.75 -36.55 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.684 0.793 . . . . 0.0 111.632 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.38 -40.26 70.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.937 0.895 . . . . 0.0 111.551 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -67.61 -47.42 69.71 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.85 -35.33 80.28 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.015 0.926 . . . . 0.0 111.795 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.31 -25.84 23.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.867 0.867 . . . . 0.0 112.271 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -62.56 -32.3 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.92 1.288 . . . . 0.0 112.519 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -28.72 69.51 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.246 -0.909 . . . . 0.0 113.167 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -72.07 -21.1 61.56 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.54 1.136 . . . . 0.0 112.726 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.99 -43.22 11.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.21 1.004 . . . . 0.0 111.993 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.03 -34.08 75.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.857 0.863 . . . . 0.0 113.316 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -66.69 -35.51 80.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.374 1.47 . . . . 0.0 112.22 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.91 -31.37 67.97 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.869 0.759 . . . . 0.0 111.3 -177.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.43 -35.82 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.601 1.161 . . . . 0.0 111.541 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.06 -39.33 74.69 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.931 0.892 . . . . 0.0 111.355 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.14 -35.18 71.61 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.963 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -60.0 -51.84 67.94 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.56 0.695 . . . . 0.0 110.258 170.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -62.41 -31.26 71.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.057 1.343 . . . . 0.0 112.749 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -78.06 -51.44 10.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.987 1.315 . . . . 0.0 110.985 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.39 -38.26 76.97 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.061 0.944 . . . . 0.0 112.855 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.24 -24.01 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.431 0.692 . . . . 0.0 112.776 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -83.14 -24.89 32.36 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.118 -0.989 . . . . 0.0 113.33 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.63 -24.15 65.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.481 1.491 . . . . 0.0 112.209 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -70.0 -20.98 63.26 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.375 -0.828 . . . . 0.0 112.514 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.16 2.34 18.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.516 1.126 . . . . 0.0 112.472 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -115.97 -1.52 12.51 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.06 1.744 . . . . 0.0 113.376 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -122.45 88.6 2.96 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.841 1.657 . . . . 0.0 109.946 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.5 t -89.42 -3.24 58.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.942 1.297 . . . . 0.0 114.122 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.98 -12.43 55.34 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.36 1.457 . . . . 0.0 114.102 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 60.48 22.85 12.5 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.792 2.037 . . . . 0.0 113.698 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.87 -28.71 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.094 1.358 . . . . 0.0 111.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -116.7 -16.66 10.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.893 1.677 . . . . 0.0 111.946 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.6 m -57.07 -26.05 59.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.329 1.052 . . . . 0.0 113.833 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.75 149.01 70.76 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 125.828 1.651 . . . . 0.0 112.599 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.79 148.81 86.94 Favored 'Trans proline' 0 C--N 1.351 0.675 1 C-N-CA 125.481 4.121 . . . . 0.0 112.826 -172.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.91 127.55 91.84 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.389 1.076 . . . . 0.0 109.908 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.56 107.25 2.41 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.018 2.479 . . . . 0.0 110.427 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.8 -23.19 63.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -61.72 -18.81 61.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.11 1.364 . . . . 0.0 113.917 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.98 6.01 7.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.171 1.388 . . . . 0.0 113.587 171.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' B' ' 80' ' ' TYR . 21.9 t -145.5 68.15 13.21 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 126.591 1.957 . . . . 0.0 108.861 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.66 -17.31 18.25 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.971 2.447 . . . . 0.0 112.558 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -92.18 6.48 46.47 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.603 1.561 . . . . 0.0 113.429 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' B' ' 77' ' ' VAL . 76.7 t80 -54.41 -47.42 72.79 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.371 -0.831 . . . . 0.0 111.747 171.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.28 -19.67 59.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.785 1.234 . . . . 0.0 113.487 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.02 -18.04 58.42 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.917 0.887 . . . . 0.0 112.898 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -105.85 -27.74 11.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.314 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -115.49 107.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.772 1.629 . . . . 0.0 110.433 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -77.97 -27.16 49.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -126.33 77.23 72.62 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.657 1.583 . . . . 0.0 111.244 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.6 156.19 44.83 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.195 2.597 . . . . 0.0 111.562 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.05 166.1 32.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.929 1.692 . . . . 0.0 112.205 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.48 158.88 21.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.244 1.818 . . . . 0.0 111.036 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.07 -35.29 64.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.324 0.65 . . . . 0.0 112.598 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.96 -43.23 93.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.646 0.657 . . . . 0.0 111.657 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -62.7 -43.08 99.72 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.839 0.856 . . . . 0.0 111.104 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 87.9 mtp -62.63 -46.04 90.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.513 0.597 . . . . 0.0 111.716 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.83 -42.27 88.86 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.549 -0.72 . . . . 0.0 112.578 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -64.55 -45.37 87.38 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.427 1.091 . . . . 0.0 111.971 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -61.52 -39.85 92.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.461 0.705 . . . . 0.0 112.136 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.7 -41.99 78.38 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.144 -0.972 . . . . 0.0 111.797 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.78 -10.68 58.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.965 0.906 . . . . 0.0 113.255 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.92 4.93 43.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.998 1.719 . . . . 0.0 113.065 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 64.66 27.9 13.16 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.795 2.038 . . . . 0.0 113.613 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -74.98 -15.23 60.67 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.053 1.341 . . . . 0.0 113.401 -171.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -98.0 104.55 16.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.089 1.355 . . . . 0.0 111.13 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.55 -10.03 22.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.927 1.291 . . . . 0.0 113.103 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -145.79 149.39 34.27 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.691 1.996 . . . . 0.0 109.599 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -66.28 -27.52 68.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.02 0.528 . . . . 0.0 112.191 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.56 -43.74 89.47 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.885 1.274 . . . . 0.0 113.051 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -72.32 -35.68 68.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.074 0.852 . . . . 0.0 112.303 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.16 -39.42 86.47 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.188 0.995 . . . . 0.0 111.474 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.6 -41.16 79.98 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.039 1.335 . . . . 0.0 111.331 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.49 -34.02 75.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.146 0.979 . . . . 0.0 113.52 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.59 -30.83 69.66 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.53 -43.05 77.59 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.593 -0.692 . . . . 0.0 110.882 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.28 -35.45 73.77 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.852 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.86 -42.64 99.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.14 0.882 . . . . 0.0 111.337 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.19 -46.09 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.046 0.938 . . . . 0.0 111.301 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.46 -57.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.44 0.696 . . . . 0.0 110.29 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -64.1 -27.96 69.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.9 -22.78 64.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.418 1.008 . . . . 0.0 112.639 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.47 -45.84 24.37 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.437 -0.789 . . . . 0.0 110.04 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.93 -25.77 68.49 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.193 . . . . 0.0 113.024 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -84.68 -14.76 47.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.971 1.708 . . . . 0.0 113.948 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -147.85 86.51 1.58 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.979 1.312 . . . . 0.0 111.747 -174.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -165.0 -168.82 1.52 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.892 2.077 . . . . 0.0 110.945 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -133.89 156.44 48.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.293 1.437 . . . . 0.0 109.393 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.6 23.14 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.721 2.008 . . . . 0.0 116.362 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -156.36 11.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.51 1.924 . . . . 0.0 113.956 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 19.7 p -83.81 156.92 22.24 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.885 -1.135 . . . . 0.0 112.065 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 16.6 tt -68.78 -38.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 111.88 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -72.04 -33.44 67.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.238 1.015 . . . . 0.0 113.332 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -57.17 -48.35 78.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.955 0.902 . . . . 0.0 111.029 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.08 -26.31 56.37 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.7 74.25 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.338 -0.851 . . . . 0.0 112.66 171.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.29 71.54 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.434 -0.791 . . . . 0.0 112.739 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.21 -39.55 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.829 0.852 . . . . 0.0 110.767 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -57.87 -48.61 79.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.764 0.826 . . . . 0.0 111.837 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.91 -43.36 98.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.941 0.897 . . . . 0.0 112.496 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -56.67 -33.76 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.746 0.819 . . . . 0.0 113.028 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -88.03 -62.8 1.41 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.782 1.233 . . . . 0.0 111.127 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -67.63 -45.8 74.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.149 0.58 . . . . 0.0 112.286 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -84.54 -11.25 77.99 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.544 -0.587 . . . . 0.0 113.439 174.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.63 90.4 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.425 1.112 . . . . 0.0 110.748 169.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.34 92.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.635 0.774 . . . . 0.0 111.695 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.46 HG23 ' HA2' ' B' ' 140' ' ' GLY . 39.2 t -62.76 -38.62 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.202 1.001 . . . . 0.0 111.623 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.6 mt -69.74 -40.5 76.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.579 0.752 . . . . 0.0 111.403 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -65.11 -50.17 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -65.7 -32.52 74.12 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.244 1.018 . . . . 0.0 112.247 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.73 21.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.571 0.749 . . . . 0.0 111.56 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.72 -29.58 70.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.145 1.378 . . . . 0.0 111.974 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -54.61 -32.48 58.86 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.18 0.992 . . . . 0.0 113.402 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -72.52 -22.0 61.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.543 1.137 . . . . 0.0 112.809 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.41 11.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.908 1.283 . . . . 0.0 112.03 170.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.38 -31.12 72.2 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 CA-C-O 119.517 -0.602 . . . . 0.0 113.531 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.93 -38.08 81.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.658 1.183 . . . . 0.0 112.719 172.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.45 -17.46 60.14 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.079 0.951 . . . . 0.0 112.96 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 71.0 mt -76.81 -27.19 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.473 1.109 . . . . 0.0 111.154 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.18 -52.64 53.65 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.529 -0.732 . . . . 0.0 109.882 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.0 -41.45 99.58 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.186 0.594 . . . . 0.0 111.941 -170.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.181 0.446 . . . . 0.0 111.961 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -71.41 -29.32 64.78 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.6 m -72.76 -49.97 27.52 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.169 0.987 . . . . 0.0 110.676 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.15 -39.54 82.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.745 0.818 . . . . 0.0 112.397 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -63.04 -29.02 70.49 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.05 -34.24 43.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.687 1.131 . . . . 0.0 112.112 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.19 -31.93 72.51 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.827 1.194 . . . . 0.0 111.475 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.09 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -88.32 -13.59 40.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.195 0.998 . . . . 0.0 113.01 171.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -80.11 -20.44 45.03 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.714 -1.241 . . . . 0.0 113.171 173.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -100.3 84.29 2.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.433 1.493 . . . . 0.0 110.475 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -86.43 -5.46 59.15 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.788 1.235 . . . . 0.0 114.078 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.94 -12.15 62.48 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.298 1.428 . . . . 0.0 113.739 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 61.68 24.71 14.76 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.658 1.983 . . . . 0.0 113.175 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.64 -32.87 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.167 1.387 . . . . 0.0 112.133 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.29 -20.94 11.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.587 1.555 . . . . 0.0 112.271 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -57.62 -21.81 41.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.097 1.359 . . . . 0.0 114.134 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -132.47 155.47 81.22 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.203 1.801 . . . . 0.0 112.022 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.45 146.21 67.56 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.749 3.633 . . . . 0.0 112.231 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.64 125.9 89.15 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.089 0.956 . . . . 0.0 109.269 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 129.02 13.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.293 2.662 . . . . 0.0 111.893 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.39 -14.5 62.19 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.927 0.891 . . . . 0.0 113.028 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -69.97 -31.71 69.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.526 0.73 . . . . 0.0 112.004 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -88.56 -34.94 17.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.931 0.892 . . . . 0.0 112.031 172.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 t -128.89 79.36 74.69 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.75 1.22 . . . . 0.0 110.395 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.09 -16.22 15.9 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 123.262 2.641 . . . . 0.0 113.259 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -93.72 1.3 56.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.423 1.089 . . . . 0.0 113.115 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -55.68 -41.56 73.89 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.208 1.003 . . . . 0.0 112.512 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 mt -75.29 -19.61 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.194 1.397 . . . . 0.0 113.324 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.75 -19.54 28.96 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.743 1.217 . . . . 0.0 112.853 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -102.63 -28.6 12.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.637 1.175 . . . . 0.0 112.876 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.4 mm -114.57 120.81 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.626 1.57 . . . . 0.0 110.033 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -80.57 -26.39 37.97 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -130.92 63.59 70.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.886 1.674 . . . . 0.0 111.674 -177.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.94 129.19 16.99 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.615 2.876 . . . . 0.0 110.834 -172.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 17.5 ttt -161.87 154.98 20.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.745 1.218 . . . . 0.0 112.471 -169.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -151.43 179.15 8.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.826 2.05 . . . . 0.0 111.833 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.98 -32.57 66.21 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.31 -39.48 94.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.38 0.991 . . . . 0.0 111.471 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.1 m -66.19 -40.83 90.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.201 1.0 . . . . 0.0 111.325 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 80.4 mtp -60.5 -49.14 78.75 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.42 0.555 . . . . 0.0 111.519 171.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -59.01 -42.34 89.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.035 0.934 . . . . 0.0 112.498 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.97 -47.05 78.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.462 1.105 . . . . 0.0 111.906 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.71 -35.76 78.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.072 0.549 . . . . 0.0 112.244 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.94 -43.87 56.85 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.408 1.083 . . . . 0.0 111.913 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.63 -16.82 64.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.031 0.933 . . . . 0.0 113.389 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 -5.71 28.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.465 1.506 . . . . 0.0 113.369 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 74.34 37.1 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.315 2.646 . . . . 0.0 114.372 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -80.66 -15.47 56.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.659 1.183 . . . . 0.0 113.447 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -89.17 104.27 16.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.175 0.99 . . . . 0.0 111.407 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.34 -1.86 24.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.478 1.511 . . . . 0.0 112.886 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -145.1 139.34 27.27 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.07 1.748 . . . . 0.0 109.391 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -64.04 -25.37 68.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.735 0.814 . . . . 0.0 111.825 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -62.28 -40.24 95.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.36 1.064 . . . . 0.0 112.712 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.04 -36.04 56.37 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.706 0.802 . . . . 0.0 112.039 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -64.31 -39.15 93.34 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.578 1.151 . . . . 0.0 111.906 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.32 -41.06 70.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.645 1.178 . . . . 0.0 111.658 174.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -64.92 -36.18 83.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.039 -1.038 . . . . 0.0 113.339 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -71.38 -22.87 61.82 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.82 -43.37 65.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.389 0.995 . . . . 0.0 109.808 169.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -59.0 -32.42 69.68 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.609 0.763 . . . . 0.0 112.262 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.67 -41.35 99.03 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.903 0.881 . . . . 0.0 112.154 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.01 -43.82 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.536 -0.727 . . . . 0.0 110.621 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.77 -53.98 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.843 0.857 . . . . 0.0 110.673 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -66.29 -35.5 80.56 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.15 -30.72 70.56 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.996 173.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 46.3 t -73.52 -47.99 36.66 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.551 0.614 . . . . 0.0 111.435 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.5 -27.52 67.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.348 1.059 . . . . 0.0 112.428 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -73.69 -19.69 60.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.267 1.427 . . . . 0.0 114.284 171.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -126.39 56.76 1.44 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.97 1.708 . . . . 0.0 112.376 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -166.73 152.23 8.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.49 1.516 . . . . 0.0 112.068 173.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.53 157.11 22.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.341 1.056 . . . . 0.0 109.754 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -64.7 -11.29 34.3 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -172.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -109.48 1.08 19.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.667 1.587 . . . . 0.0 114.335 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 25.4 p -85.95 158.59 19.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.279 0.945 . . . . 0.0 112.435 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.3 tt -60.41 -42.0 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.945 0.898 . . . . 0.0 111.492 170.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -69.03 -36.45 77.76 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.734 1.213 . . . . 0.0 112.333 -172.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.84 -52.86 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.646 0.778 . . . . 0.0 110.571 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -37.35 87.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.695 1.198 . . . . 0.0 111.465 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.79 -34.88 71.98 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.102 0.865 . . . . 0.0 112.942 175.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.07 68.56 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.565 -0.709 . . . . 0.0 112.686 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.9 -41.67 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.481 0.582 . . . . 0.0 110.316 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -37.65 88.33 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.35 1.06 . . . . 0.0 112.195 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.38 -45.57 90.48 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.882 0.873 . . . . 0.0 111.931 169.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -57.17 -34.44 68.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.87 0.868 . . . . 0.0 112.834 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -83.48 -65.27 1.03 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.292 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.71 -44.14 74.52 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.53 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.61 -16.86 72.21 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 118.499 0.59 . . . . 0.0 113.251 175.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.65 87.82 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 118.158 0.979 . . . . 0.0 110.847 169.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.34 92.51 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.417 0.687 . . . . 0.0 111.892 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.53 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.3 t -61.92 -38.95 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.106 0.963 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.23 -39.59 71.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.637 0.775 . . . . 0.0 111.256 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -64.93 -48.52 73.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.232 1.013 . . . . 0.0 112.487 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.03 -32.02 73.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.765 0.826 . . . . 0.0 112.285 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.03 -22.61 19.04 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.263 1.025 . . . . 0.0 112.93 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -60.02 -32.75 71.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.198 0.999 . . . . 0.0 111.801 169.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -57.64 -30.41 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.793 1.237 . . . . 0.0 113.482 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -71.11 -25.11 62.45 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 112.26 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.15 -43.9 11.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.935 1.294 . . . . 0.0 111.921 170.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -31.03 71.78 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.14 -39.85 83.65 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.414 1.086 . . . . 0.0 112.695 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.0 -22.17 64.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.739 0.816 . . . . 0.0 112.752 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.39 -34.52 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.064 0.946 . . . . 0.0 110.517 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.86 -46.17 91.64 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.875 -0.516 . . . . 0.0 110.194 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.88 -45.75 70.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.909 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -64.75 -32.98 74.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.619 0.645 . . . . 0.0 112.529 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -77.26 -22.63 51.86 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.7 m -87.75 -38.06 16.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.644 1.178 . . . . 0.0 112.217 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.59 -40.95 76.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.546 1.066 . . . . 0.0 112.902 -176.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.35 -29.71 70.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 174.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.35 -15.95 60.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.422 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.97 -37.3 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.591 1.087 . . . . 0.0 109.546 169.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -66.13 -32.03 73.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.665 0.786 . . . . 0.0 112.375 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.04 -15.08 63.5 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -85.74 -6.83 59.07 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.6 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -109.63 78.1 1.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.479 1.912 . . . . 0.0 110.156 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -82.45 -7.18 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.055 1.342 . . . . 0.0 114.09 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.42 65.08 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.122 1.82 . . . . 0.0 113.889 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 62.4 26.35 15.72 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.457 1.903 . . . . 0.0 113.356 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.0 mt -74.26 -31.74 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.939 1.695 . . . . 0.0 112.25 -173.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -113.47 -16.16 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.824 1.65 . . . . 0.0 112.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -61.12 -23.96 65.9 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.85 1.26 . . . . 0.0 113.744 170.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.52 152.13 79.45 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.699 1.6 . . . . 0.0 112.066 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.88 151.76 68.47 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.861 3.707 . . . . 0.0 112.996 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.55 124.97 86.36 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 124.369 1.068 . . . . 0.0 109.766 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.44 117.19 4.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.282 2.655 . . . . 0.0 110.837 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.4 mt -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.6 m -69.8 -26.91 64.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.02 0.928 . . . . 0.0 112.429 170.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -92.62 -35.19 13.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.268 1.027 . . . . 0.0 111.84 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.11 82.44 66.1 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.981 1.312 . . . . 0.0 110.556 -176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.32 -12.69 18.95 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.283 2.655 . . . . 0.0 112.849 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -99.45 13.1 34.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.811 1.644 . . . . 0.0 112.912 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.88 -41.15 81.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.797 -1.189 . . . . 0.0 112.148 -176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.27 -18.96 59.96 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.211 1.404 . . . . 0.0 113.405 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.24 -27.43 59.49 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.063 0.945 . . . . 0.0 112.399 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -94.72 -33.74 12.81 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.067 0.947 . . . . 0.0 112.806 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.0 mm -118.56 113.01 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.195 1.398 . . . . 0.0 111.25 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -76.15 -27.66 57.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -133.45 81.61 54.39 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 125.009 1.323 . . . . 0.0 111.462 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.63 150.08 21.43 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.048 3.165 . . . . 0.0 111.491 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 41.9 ttm -164.83 157.13 16.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.067 1.347 . . . . 0.0 113.126 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -151.37 170.21 20.1 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.534 2.334 . . . . 0.0 110.571 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.33 -26.14 67.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.11 -41.57 90.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.125 0.57 . . . . 0.0 111.601 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 94.9 m -65.24 -41.09 94.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.95 0.9 . . . . 0.0 111.061 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.0 mmm -59.57 -49.91 75.92 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.462 0.574 . . . . 0.0 111.202 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.56 -44.9 81.38 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.6 -44.08 91.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.685 0.794 . . . . 0.0 111.744 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.87 -39.25 88.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.955 0.902 . . . . 0.0 112.012 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.24 -43.69 70.06 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.841 -1.162 . . . . 0.0 111.699 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.15 -11.04 60.44 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.221 1.008 . . . . 0.0 113.127 174.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.71 10.87 32.66 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.476 1.91 . . . . 0.0 112.901 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 63.44 22.93 13.47 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.128 1.771 . . . . 0.0 113.923 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.39 -27.01 64.94 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.298 1.039 . . . . 0.0 113.247 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -90.53 106.72 18.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.48 1.112 . . . . 0.0 111.306 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.28 -22.68 13.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.888 1.275 . . . . 0.0 112.829 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.56 150.65 51.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.514 1.926 . . . . 0.0 109.618 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.29 -24.37 66.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.835 0.454 . . . . 0.0 112.16 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.72 -44.48 73.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.164 1.385 . . . . 0.0 112.547 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 -33.07 64.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.644 0.778 . . . . 0.0 112.414 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -69.12 -35.7 76.71 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.088 0.955 . . . . 0.0 111.518 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.44 -36.09 63.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.339 1.455 . . . . 0.0 112.056 174.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -78.35 -31.97 48.84 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.07 -29.95 65.96 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.635 -0.665 . . . . 0.0 111.147 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -67.59 -43.45 80.49 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.072 -1.017 . . . . 0.0 110.283 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -58.21 -30.49 66.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.244 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.5 -44.79 77.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.193 0.997 . . . . 0.0 112.355 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.38 -39.9 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.988 0.915 . . . . 0.0 110.978 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.3 -60.33 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.489 0.715 . . . . 0.0 110.82 172.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 84.7 p -65.85 -36.18 82.74 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -74.91 -8.17 55.68 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.54 -47.54 8.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.405 0.682 . . . . 0.0 109.663 169.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.11 -25.29 67.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.341 1.057 . . . . 0.0 112.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -76.33 -15.43 59.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.914 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -144.03 81.1 1.67 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 111.183 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.42 169.15 4.47 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.492 1.917 . . . . 0.0 111.336 174.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 158.81 15.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.322 1.049 . . . . 0.0 111.415 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -77.56 10.14 2.85 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -128.77 9.09 5.84 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.133 1.773 . . . . 0.0 113.596 -172.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 66.9 p -105.66 162.67 13.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.911 1.284 . . . . 0.0 113.555 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -66.15 -40.56 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 111.277 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -68.51 -38.18 80.7 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.272 1.029 . . . . 0.0 112.939 -170.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.48 -49.77 72.31 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.121 0.568 . . . . 0.0 110.638 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -62.06 -33.17 73.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.599 1.16 . . . . 0.0 112.922 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.17 -35.01 78.86 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.542 1.065 . . . . 0.0 112.871 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.02 70.19 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.505 -0.747 . . . . 0.0 112.425 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.93 -40.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.108 0.563 . . . . 0.0 110.761 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -63.01 -42.83 99.92 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.884 0.874 . . . . 0.0 111.779 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.8 -45.33 92.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.233 1.013 . . . . 0.0 112.461 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -58.54 -32.89 69.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.948 0.899 . . . . 0.0 113.228 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -82.55 -63.08 1.44 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.622 1.169 . . . . 0.0 111.359 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.68 -49.85 60.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.84 0.856 . . . . 0.0 112.469 -170.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.62 -9.68 85.34 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.423 -0.654 . . . . 0.0 113.605 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.78 -33.81 88.23 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 118.399 1.1 . . . . 0.0 111.189 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.3 -41.88 72.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.849 0.86 . . . . 0.0 111.924 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.405 HG23 ' HA2' ' B' ' 140' ' ' GLY . 85.0 t -60.03 -38.65 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.461 1.104 . . . . 0.0 111.245 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.9 mt -71.2 -31.04 67.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.132 0.573 . . . . 0.0 111.871 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -45.84 49.73 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.047 0.839 . . . . 0.0 113.14 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.13 -23.56 67.17 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.756 1.223 . . . . 0.0 112.637 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.4 -32.02 12.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.619 0.767 . . . . 0.0 112.569 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.67 -39.27 87.82 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.467 1.107 . . . . 0.0 112.657 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -64.11 -18.29 64.26 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.87 -20.53 58.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.412 1.085 . . . . 0.0 112.712 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.99 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.931 1.292 . . . . 0.0 112.424 171.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.6 -31.93 73.23 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.432 0.693 . . . . 0.0 112.846 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 CA-C-O 119.118 -0.824 . . . . 0.0 114.673 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.15 -39.69 87.23 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.353 1.077 . . . . 0.0 112.828 173.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -24.34 61.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.679 0.791 . . . . 0.0 112.038 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.6 mt -68.46 -32.1 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.578 0.751 . . . . 0.0 111.072 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.64 -43.52 96.55 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.543 -0.723 . . . . 0.0 110.421 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.59 -44.19 71.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.03 0.532 . . . . 0.0 111.681 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.32 -31.41 72.02 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.91 -37.35 62.11 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 112.368 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.3 m -73.93 -47.43 37.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.158 1.383 . . . . 0.0 111.687 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.06 -36.17 76.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.214 0.916 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -71.63 -21.5 61.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.865 0.866 . . . . 0.0 112.877 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.36 -33.02 28.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.63 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.01 -32.89 74.35 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.158 1.345 . . . . 0.0 111.864 169.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -65.99 -16.13 63.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.237 1.015 . . . . 0.0 113.161 174.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -91.42 0.33 57.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.042 1.337 . . . . 0.0 112.931 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -103.33 -4.77 23.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.167 1.387 . . . . 0.0 113.621 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -105.19 99.74 9.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.787 1.635 . . . . 0.0 109.55 170.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.1 t -96.65 -0.17 48.89 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.939 1.296 . . . . 0.0 114.427 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.97 -9.71 44.76 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.186 1.374 . . . . 0.0 114.204 170.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 m120 61.39 23.47 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.516 1.926 . . . . 0.0 112.811 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 -31.93 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.739 1.616 . . . . 0.0 112.038 -173.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -112.92 -18.04 12.34 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.803 1.641 . . . . 0.0 112.135 -177.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -53.91 -25.81 22.02 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.41 1.484 . . . . 0.0 114.042 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.98 156.46 80.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.481 1.913 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.88 146.01 76.5 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.459 3.439 . . . . 0.0 111.84 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.39 126.65 92.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 123.857 0.863 . . . . 0.0 109.705 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 111.77 3.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.195 2.597 . . . . 0.0 110.669 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.84 -22.65 64.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.007 0.523 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.49 -17.96 48.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.107 1.363 . . . . 0.0 113.949 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -123.19 7.11 9.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.236 1.414 . . . . 0.0 113.747 170.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.5 t -149.51 73.17 9.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.974 1.709 . . . . 0.0 109.418 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.27 -12.51 15.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.926 2.418 . . . . 0.0 112.906 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.79 5.2 51.06 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.305 1.442 . . . . 0.0 113.142 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.03 -41.08 77.93 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.05 -1.031 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -74.33 -20.67 60.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.148 1.379 . . . . 0.0 113.343 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.94 -15.06 45.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.819 1.248 . . . . 0.0 112.891 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -108.28 -32.16 7.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.829 1.252 . . . . 0.0 113.003 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.11 116.5 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.475 1.51 . . . . 0.0 109.759 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -77.8 -28.35 50.38 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.13 67.38 80.61 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.898 1.679 . . . . 0.0 111.06 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.62 132.27 21.63 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.728 2.952 . . . . 0.0 110.77 -171.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.02 155.25 25.04 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -169.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -156.48 177.87 10.97 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.678 2.391 . . . . 0.0 110.984 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -58.89 -28.0 65.75 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.19 -39.36 89.65 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.626 1.103 . . . . 0.0 111.613 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.4 m -65.96 -42.11 90.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 0.0 111.157 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -62.12 -46.5 88.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.765 0.711 . . . . 0.0 111.311 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.8 -44.11 81.6 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.717 -0.614 . . . . 0.0 112.352 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -65.12 -42.51 93.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.028 0.931 . . . . 0.0 112.446 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -60.02 -40.25 88.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.052 0.541 . . . . 0.0 112.019 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.12 -40.32 71.5 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.149 0.98 . . . . 0.0 111.959 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.42 -18.78 62.48 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.542 1.137 . . . . 0.0 112.999 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.93 4.3 39.94 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.059 1.744 . . . . 0.0 113.227 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 64.94 23.81 12.62 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.707 2.003 . . . . 0.0 113.717 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -69.4 -21.68 63.75 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 112.831 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 103.28 14.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.767 1.227 . . . . 0.0 110.92 173.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.21 -15.01 18.25 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.246 1.418 . . . . 0.0 113.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -140.4 143.27 35.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.296 2.238 . . . . 0.0 110.002 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -67.68 -23.77 65.34 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.15 -39.65 93.26 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.666 -0.647 . . . . 0.0 112.709 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.02 -27.96 54.76 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.318 0.963 . . . . 0.0 112.483 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.09 -38.41 78.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.597 0.759 . . . . 0.0 111.719 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.71 -36.74 67.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.823 1.249 . . . . 0.0 112.027 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.64 -31.57 62.01 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.31 -27.43 67.16 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.612 -0.68 . . . . 0.0 112.359 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -71.26 -43.61 66.88 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.895 0.77 . . . . 0.0 110.857 169.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.53 -32.02 69.94 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.687 -0.633 . . . . 0.0 112.516 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.37 -45.43 93.21 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.871 1.268 . . . . 0.0 111.833 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.97 -44.37 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.783 0.833 . . . . 0.0 110.75 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.73 -57.95 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.709 0.804 . . . . 0.0 110.494 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.1 p -65.86 -34.16 77.5 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.01 -21.11 66.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.034 -1.041 . . . . 0.0 113.752 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -74.54 -49.08 23.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.797 0.726 . . . . 0.0 110.962 171.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.11 -36.47 84.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.144 1.378 . . . . 0.0 111.72 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -67.67 -17.22 64.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.275 1.43 . . . . 0.0 114.571 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -111.11 2.28 17.79 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.99 156.22 36.82 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.565 -1.334 . . . . 0.0 111.383 -170.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.08 175.84 9.69 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.682 0.753 . . . . 0.0 111.943 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -0.81 10.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -170.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.31 17.47 0.94 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 69.8 p -84.91 158.22 20.63 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.23 -0.919 . . . . 0.0 112.458 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.64 -43.88 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.308 1.043 . . . . 0.0 112.115 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -68.75 -39.76 80.14 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.737 0.815 . . . . 0.0 111.793 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -56.71 -49.84 73.96 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.811 . . . . 0.0 110.5 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -70.94 -26.91 63.39 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.3 82.36 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.432 1.014 . . . . 0.0 112.171 170.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.55 71.32 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.485 -0.76 . . . . 0.0 112.268 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.34 -42.93 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.277 0.631 . . . . 0.0 110.603 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -62.02 -44.14 97.35 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.014 0.926 . . . . 0.0 111.82 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -58.37 -44.08 88.72 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.096 0.862 . . . . 0.0 112.217 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -57.68 -30.88 65.83 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -87.69 -62.49 1.48 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.873 1.269 . . . . 0.0 111.351 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.88 -48.09 78.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.868 0.867 . . . . 0.0 112.044 -171.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.449 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -88.63 -9.57 68.7 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.697 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.82 92.53 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 118.561 1.18 . . . . 0.0 110.65 169.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.12 97.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.771 0.828 . . . . 0.0 111.875 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.449 HG23 ' HA2' ' B' ' 140' ' ' GLY . 47.5 t -63.38 -35.73 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.478 1.111 . . . . 0.0 111.825 -177.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.8 mt -73.31 -39.23 65.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.535 0.734 . . . . 0.0 111.5 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -68.57 -39.65 80.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.04 0.936 . . . . 0.0 113.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -72.0 -33.79 68.37 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.429 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.88 -26.57 25.55 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.749 -0.594 . . . . 0.0 111.453 -170.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -59.61 -32.18 70.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.83 1.652 . . . . 0.0 111.662 169.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -59.15 -33.22 70.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.934 0.894 . . . . 0.0 113.023 175.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.22 -20.58 61.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.839 1.256 . . . . 0.0 112.789 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.84 -40.2 13.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.151 0.98 . . . . 0.0 112.613 171.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.3 -31.4 69.85 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.752 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.52 -38.8 85.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.244 1.018 . . . . 0.0 112.402 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -22.06 61.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.702 1.201 . . . . 0.0 112.446 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.29 -38.74 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.91 0.884 . . . . 0.0 111.524 171.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.21 -45.09 65.09 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.938 0.79 . . . . 0.0 110.758 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.42 -27.13 68.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.502 0.721 . . . . 0.0 112.362 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -68.02 -50.55 54.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.085 0.857 . . . . 0.0 110.214 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.86 -39.93 86.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.68 1.192 . . . . 0.0 111.964 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -70.33 -49.38 49.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.809 1.244 . . . . 0.0 111.633 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.1 -37.68 80.7 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.614 1.097 . . . . 0.0 112.349 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.69 -19.43 64.38 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -88.9 -29.55 19.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.0 0.92 . . . . 0.0 112.022 173.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -30.91 71.47 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.155 1.343 . . . . 0.0 111.653 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -68.71 -18.22 64.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -82.21 -0.44 45.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.007 . . . . 0.0 112.629 172.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -106.13 2.87 27.42 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.599 1.56 . . . . 0.0 113.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -122.91 101.31 7.36 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.877 1.671 . . . . 0.0 109.887 170.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t -102.6 -0.08 32.52 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.91 1.284 . . . . 0.0 114.366 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.69 -10.86 54.98 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.196 1.379 . . . . 0.0 114.03 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.3 28.11 16.21 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.626 1.97 . . . . 0.0 113.455 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.91 -32.05 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.178 1.391 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -115.06 -15.63 11.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.574 1.549 . . . . 0.0 111.885 -177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 44.9 m -53.79 -27.76 31.05 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.31 150.94 66.03 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 126.457 1.903 . . . . 0.0 112.197 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.31 153.44 78.26 Favored 'Trans proline' 0 CA--C 1.539 0.755 1 C-N-CA 125.409 4.072 . . . . 0.0 112.738 -174.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 46.0 t -59.99 126.88 84.74 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.951 0.9 . . . . 0.0 110.008 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 111.6 2.96 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.29 2.66 . . . . 0.0 110.459 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.71 -18.87 62.8 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -59.53 -18.37 39.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.076 1.35 . . . . 0.0 113.815 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.93 8.56 10.49 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.277 1.431 . . . . 0.0 113.761 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 43.7 t -148.35 90.79 4.89 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.646 1.578 . . . . 0.0 110.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.63 -5.36 12.44 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.19 2.593 . . . . 0.0 113.006 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.21 6.28 26.54 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.647 1.579 . . . . 0.0 113.78 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.69 -43.6 85.24 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.831 -1.168 . . . . 0.0 112.25 -172.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.56 -18.97 61.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.21 1.404 . . . . 0.0 113.55 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.43 -12.54 59.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.501 1.12 . . . . 0.0 112.934 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -114.67 -26.25 7.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.839 1.256 . . . . 0.0 113.658 173.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mm -116.06 108.8 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.46 1.504 . . . . 0.0 110.009 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.91 -26.82 43.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.647 1.179 . . . . 0.0 113.54 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -129.17 72.51 81.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.086 1.754 . . . . 0.0 110.854 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.2 134.85 21.76 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.338 2.692 . . . . 0.0 111.105 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.419 ' HB2' HD23 ' B' ' 114' ' ' LEU . 2.9 tpt -147.53 159.28 43.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.011 1.324 . . . . 0.0 113.433 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -159.36 160.04 34.54 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.017 1.727 . . . . 0.0 111.348 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.53 -33.49 63.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.65 0.78 . . . . 0.0 112.88 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.05 -43.5 98.46 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.009 0.523 . . . . 0.0 111.405 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -64.22 -43.53 94.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.729 0.812 . . . . 0.0 111.246 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.8 mtp -61.52 -45.7 93.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.697 0.681 . . . . 0.0 112.008 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.82 -47.55 84.41 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.521 -0.737 . . . . 0.0 112.405 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -60.72 -43.42 97.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.706 0.803 . . . . 0.0 111.812 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.46 -40.68 97.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.829 0.852 . . . . 0.0 112.481 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.54 -41.79 79.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.23 -0.919 . . . . 0.0 111.651 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.8 -9.7 52.54 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.786 0.834 . . . . 0.0 113.101 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.45 8.48 35.67 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.18 1.792 . . . . 0.0 113.21 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 64.54 25.38 13.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.695 1.998 . . . . 0.0 114.268 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -64.36 -26.11 68.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.677 1.191 . . . . 0.0 113.607 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -91.77 103.18 15.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.479 1.112 . . . . 0.0 111.868 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.92 -10.82 22.29 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.053 1.341 . . . . 0.0 113.166 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -144.05 146.53 32.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.022 1.729 . . . . 0.0 110.028 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.49 -25.84 67.66 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 122.079 -0.388 . . . . 0.0 111.705 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.76 -22.35 66.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.786 1.634 . . . . 0.0 113.892 176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -92.36 -38.96 11.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.5 1.12 . . . . 0.0 111.537 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.66 -39.82 91.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.219 1.007 . . . . 0.0 112.243 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.73 -35.16 76.77 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.11 0.964 . . . . 0.0 111.719 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -79.16 -32.85 44.43 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.255 1.422 . . . . 0.0 112.227 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.25 -28.38 67.17 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.402 -0.811 . . . . 0.0 112.158 170.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.99 -42.47 66.43 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.777 0.717 . . . . 0.0 110.776 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -56.1 -34.54 66.13 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.905 -0.497 . . . . 0.0 111.626 172.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' B' ' 88' ' ' MET . 9.6 tp -64.08 -39.36 93.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.2 1.4 . . . . 0.0 112.635 177.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.23 -44.33 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.907 0.883 . . . . 0.0 110.579 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.83 -55.28 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.808 0.843 . . . . 0.0 110.577 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.7 p -64.83 -31.08 72.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.89 -32.01 73.27 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.07 -1.019 . . . . 0.0 112.76 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.3 t -71.64 -24.49 61.87 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.167 -0.958 . . . . 0.0 112.48 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.07 2.52 51.75 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.172 1.389 . . . . 0.0 112.668 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -118.33 -18.26 9.27 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.941 1.697 . . . . 0.0 114.885 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -139.55 82.59 1.89 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.403 1.481 . . . . 0.0 110.787 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -171.42 -179.03 2.48 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.21 1.804 . . . . 0.0 112.333 -169.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.71 158.11 26.17 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.826 1.65 . . . . 0.0 108.84 169.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.72 -2.17 19.29 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -124.02 6.95 8.59 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.429 1.492 . . . . 0.0 114.01 -172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 33.0 p -83.57 157.33 22.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.06 0.933 . . . . 0.0 113.355 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.9 tt -60.29 -40.62 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.292 1.037 . . . . 0.0 110.751 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.35 -43.13 86.9 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.039 1.336 . . . . 0.0 112.41 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -56.95 -48.71 77.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.292 1.037 . . . . 0.0 110.99 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -73.55 -26.37 60.82 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.1 79.84 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.73 1.15 . . . . 0.0 112.257 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.18 70.61 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.472 -0.768 . . . . 0.0 112.643 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.72 -40.73 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 0.0 110.577 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.3 -43.53 98.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 112.073 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.81 -44.57 93.93 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.827 0.851 . . . . 0.0 112.378 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -59.27 -31.69 69.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.912 0.885 . . . . 0.0 113.147 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -87.93 -64.25 1.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.068 1.347 . . . . 0.0 111.136 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.19 -45.83 65.82 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.371 0.668 . . . . 0.0 112.23 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' GLY . . . . . 0.466 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.29 -12.24 82.41 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 118.444 0.566 . . . . 0.0 113.12 173.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.93 -37.3 94.44 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.35 94.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.726 0.763 . . . . 0.0 112.147 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.466 HG23 ' HA2' ' B' ' 140' ' ' GLY . 42.3 t -63.78 -36.8 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.159 0.983 . . . . 0.0 111.874 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.45 -38.17 68.34 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.672 0.789 . . . . 0.0 111.55 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -66.59 -48.7 68.72 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.245 1.018 . . . . 0.0 112.963 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.23 -35.88 82.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.373 1.069 . . . . 0.0 112.382 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.76 -26.29 22.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.744 0.818 . . . . 0.0 112.509 -169.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.11 -28.53 67.94 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.443 1.497 . . . . 0.0 112.198 169.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -63.11 -28.25 69.95 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.235 -0.915 . . . . 0.0 113.136 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.91 -21.95 62.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.244 1.018 . . . . 0.0 112.688 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 -41.71 11.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.81 1.244 . . . . 0.0 112.775 173.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.39 -27.54 63.4 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 O-C-N 121.138 -0.976 . . . . 0.0 113.518 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.91 0.386 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.32 135.36 7.77 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.431 1.491 . . . . 0.0 112.753 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -146.4 71.91 1.27 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.351 1.861 . . . . 0.0 110.024 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.11 178.4 23.24 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.879 1.228 . . . . 0.0 113.389 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.697 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.96 5.02 0.07 OUTLIER Glycine 0 CA--C 1.538 1.494 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.28 31.68 65.92 Favored Glycine 0 N--CA 1.475 1.251 0 CA-C-N 119.153 1.476 . . . . 0.0 115.018 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -133.12 136.96 46.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.833 1.253 . . . . 0.0 112.515 -171.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.16 -153.58 5.96 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.924 1.726 . . . . 0.0 113.245 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.255 1.378 0 C-N-CA 127.228 2.211 . . . . 0.0 112.289 -179.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -159.9 151.33 19.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.239 1.416 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p -173.37 -166.92 0.36 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.483 1.913 . . . . 0.0 110.796 -169.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.93 6.83 Favored Glycine 0 N--CA 1.473 1.13 0 O-C-N 121.099 -1.001 . . . . 0.0 113.52 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -73.37 -1.56 18.67 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -148.17 154.95 40.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.062 1.745 . . . . 0.0 110.941 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.21 91.13 Favored Glycine 0 N--CA 1.47 0.919 0 O-C-N 121.275 -0.891 . . . . 0.0 112.757 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -62.71 -42.19 99.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.6 1.16 . . . . 0.0 112.55 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.53 -35.85 82.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.655 0.782 . . . . 0.0 111.342 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.48 -33.91 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.892 0.877 . . . . 0.0 112.091 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.56 -45.74 77.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.191 0.905 . . . . 0.0 110.52 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.31 -35.28 79.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.269 0.627 . . . . 0.0 111.414 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -59.06 -52.54 65.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.523 0.729 . . . . 0.0 110.857 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -70.46 -30.41 67.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.623 0.769 . . . . 0.0 112.868 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.5 m -72.15 -43.28 64.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.411 1.085 . . . . 0.0 111.089 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.36 -36.65 78.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.128 0.876 . . . . 0.0 111.998 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.82 -22.66 64.23 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -79.62 -39.04 32.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.299 0.954 . . . . 0.0 111.413 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.87 -32.05 73.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.704 1.138 . . . . 0.0 112.136 172.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.89 -19.73 65.98 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -89.44 5.94 43.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.183 0.993 . . . . 0.0 112.885 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -102.34 -4.06 26.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 113.062 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -117.49 91.81 3.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.134 1.774 . . . . 0.0 110.183 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -92.46 -3.12 55.68 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.796 1.239 . . . . 0.0 114.255 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.87 -10.59 56.27 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.182 1.372 . . . . 0.0 114.182 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 56.69 31.4 19.24 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.323 1.849 . . . . 0.0 113.328 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.46 -32.03 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.888 1.275 . . . . 0.0 111.722 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.36 -19.62 12.55 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.821 1.648 . . . . 0.0 112.046 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.8 m -49.29 -27.01 3.44 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.03 1.732 . . . . 0.0 114.221 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.6 158.57 75.25 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 126.933 2.093 . . . . 0.0 111.508 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.74 149.09 90.23 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.537 3.491 . . . . 0.0 111.946 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.93 125.82 88.69 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.839 . . . . 0.0 109.63 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.06 110.68 2.88 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.276 2.651 . . . . 0.0 110.592 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -69.11 -21.84 64.02 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.033 0.533 . . . . 0.0 112.27 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.96 -18.69 58.64 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.11 1.364 . . . . 0.0 113.946 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.92 2.7 11.04 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.981 1.312 . . . . 0.0 114.132 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 17.9 t -148.03 81.93 8.01 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.643 1.577 . . . . 0.0 109.746 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.26 -15.69 15.9 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.919 2.412 . . . . 0.0 112.965 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -94.31 3.39 55.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.296 1.438 . . . . 0.0 113.496 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.02 -41.67 78.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.971 -1.08 . . . . 0.0 112.375 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.88 -19.48 58.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.986 1.314 . . . . 0.0 113.282 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.11 -17.79 36.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.716 1.206 . . . . 0.0 112.929 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.91 -26.59 11.15 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.538 1.135 . . . . 0.0 113.592 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.34 116.6 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.108 1.363 . . . . 0.0 109.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -72.24 -29.5 63.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -142.66 75.39 18.57 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.842 1.657 . . . . 0.0 111.445 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.56 141.54 31.4 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.106 2.537 . . . . 0.0 111.437 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 67.7 mmm -149.83 168.16 24.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.808 2.043 . . . . 0.0 111.509 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -167.38 167.9 13.54 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.221 2.208 . . . . 0.0 111.262 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -64.39 -27.52 69.06 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -69.59 -40.45 76.67 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.816 0.735 . . . . 0.0 110.767 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 29.5 m -68.21 -37.87 81.34 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 111.304 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 58.6 mmm -55.22 -54.08 47.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.752 0.821 . . . . 0.0 111.041 170.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -58.28 -46.79 85.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.881 0.873 . . . . 0.0 113.292 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.938 0.895 . . . . 0.0 111.726 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.73 -41.15 90.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.614 0.766 . . . . 0.0 111.702 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.02 -45.46 77.46 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.88 -1.138 . . . . 0.0 111.686 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -66.55 -15.2 63.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.095 0.958 . . . . 0.0 113.357 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.71 14.35 32.17 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.164 1.786 . . . . 0.0 113.103 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 62.36 30.34 17.38 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.934 1.694 . . . . 0.0 113.45 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.14 -15.63 55.31 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 113.303 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -113.73 100.98 8.87 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.194 1.398 . . . . 0.0 111.696 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -3.95 21.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.647 1.579 . . . . 0.0 113.133 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -142.7 143.06 32.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.174 1.79 . . . . 0.0 109.945 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -67.02 -26.42 66.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.883 0.473 . . . . 0.0 112.222 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.71 -43.04 80.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.156 1.382 . . . . 0.0 112.655 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -72.87 -40.51 65.57 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.657 0.662 . . . . 0.0 111.812 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.84 -36.24 82.58 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.981 0.912 . . . . 0.0 111.959 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.36 -44.03 65.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 111.79 172.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.2 -34.91 75.63 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.011 -1.056 . . . . 0.0 113.744 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -70.71 -29.1 65.28 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.521 -0.737 . . . . 0.0 112.661 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.89 -44.83 79.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.243 0.929 . . . . 0.0 110.826 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -57.96 -38.71 76.53 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.752 -0.593 . . . . 0.0 111.918 172.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.86 -45.15 95.67 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 111.642 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.14 -44.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.619 1.167 . . . . 0.0 111.603 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.62 -55.53 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.549 0.74 . . . . 0.0 110.476 172.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -35.0 77.04 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.82 -22.52 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.829 -1.169 . . . . 0.0 113.485 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.82 -53.42 10.28 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.478 0.581 . . . . 0.0 109.712 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.24 -26.24 62.66 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.163 1.785 . . . . 0.0 113.149 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -80.9 -15.07 57.3 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.67 1.588 . . . . 0.0 115.151 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -137.2 63.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.233 1.413 . . . . 0.0 113.236 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.41 168.5 20.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.377 1.471 . . . . 0.0 112.881 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.68 152.59 19.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.392 1.077 . . . . 0.0 109.747 169.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.02 20.56 0.05 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.627 1.971 . . . . 0.0 115.993 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -147.96 6.28 0.79 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.856 1.662 . . . . 0.0 113.958 -169.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.0 p -90.7 162.8 14.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.901 0.881 . . . . 0.0 112.739 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.43 -43.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.016 0.926 . . . . 0.0 111.11 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.697 ' HB3' HH32 ' A' ' 5' ' ' ALY . 50.7 m-85 -67.11 -40.65 86.9 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.703 1.201 . . . . 0.0 111.966 -173.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -57.86 -51.66 68.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.256 1.022 . . . . 0.0 111.13 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -70.95 -27.63 63.88 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.78 82.13 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.107 -0.996 . . . . 0.0 112.472 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.36 74.51 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.488 -0.758 . . . . 0.0 112.019 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.23 -38.47 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.4 0.68 . . . . 0.0 111.007 170.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.3 -45.58 87.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.521 0.728 . . . . 0.0 111.954 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.3 -44.29 92.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.845 0.858 . . . . 0.0 112.412 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -56.65 -32.7 65.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.562 1.145 . . . . 0.0 113.113 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.31 -62.82 1.38 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.166 1.386 . . . . 0.0 111.588 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.73 -48.35 64.02 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 112.635 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -79.59 -9.66 86.63 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.691 -0.631 . . . . 0.0 113.098 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.3 91.6 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.275 1.038 . . . . 0.0 111.206 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.65 82.58 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.37 1.068 . . . . 0.0 112.772 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.404 HG23 ' HA2' ' B' ' 140' ' ' GLY . 99.7 t -61.2 -37.35 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.089 0.956 . . . . 0.0 111.181 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.47 -31.01 66.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.384 0.674 . . . . 0.0 111.981 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.17 -54.75 11.56 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.74 1.155 . . . . 0.0 113.374 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.17 -22.28 62.72 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.642 1.177 . . . . 0.0 113.15 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.069 0.948 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -58.44 -40.88 83.77 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.75 1.22 . . . . 0.0 112.177 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -62.88 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -75.87 -22.14 56.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.37 1.068 . . . . 0.0 112.52 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.18 -44.64 10.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.916 1.286 . . . . 0.0 111.913 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.25 -32.87 73.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -24.58 67.89 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -111.2 -13.42 14.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.631 1.572 . . . . 0.0 114.375 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -78.88 -14.61 81.83 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.719 1.152 . . . . 0.0 113.381 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 5.0 t 62.97 -159.96 0.31 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.897 1.679 . . . . 0.0 112.872 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 95.19 -163.21 24.1 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.354 1.454 . . . . 0.0 113.645 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.97 168.23 25.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 124.331 3.354 . . . . 0.0 112.425 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 72.4 m -141.91 158.06 44.24 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.611 1.564 . . . . 0.0 111.654 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 3.2 t 73.31 179.97 0.21 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.595 1.958 . . . . 0.0 113.27 -176.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 C-N-CA 125.516 1.531 . . . . 0.0 112.87 -177.236 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.79 161.4 24.52 Favored Glycine 0 N--CA 1.475 1.255 0 C-N-CA 125.208 1.385 . . . . 0.0 113.397 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -117.86 -10.87 10.38 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.583 1.553 . . . . 0.0 113.548 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.41 -169.35 40.42 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.694 1.616 . . . . 0.0 113.261 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.429 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.13 130.17 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 127.803 2.62 . . . . 0.0 111.158 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.35 -153.3 28.55 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.029 1.3 . . . . 0.0 113.272 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? 69.16 13.18 8.63 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.417 1.887 . . . . 0.0 114.61 170.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.79 172.43 32.52 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.889 1.709 . . . . 0.0 113.796 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.254 1.338 0 C-N-CA 126.951 2.1 . . . . 0.0 110.84 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -80.3 128.69 33.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.99 0.916 . . . . 0.0 111.943 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -136.9 16.26 3.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.647 1.179 . . . . 0.0 113.159 -174.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.99 -118.32 5.36 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.863 1.22 . . . . 0.0 111.453 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -60.64 146.4 45.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.938 1.295 . . . . 0.0 113.52 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.86 96.35 3.68 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.349 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.35 -37.65 4.76 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.197 1.379 . . . . 0.0 113.003 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -54.59 -40.1 68.5 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.843 1.257 . . . . 0.0 112.489 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.81 -19.09 62.04 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.983 0.913 . . . . 0.0 113.458 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.19 -34.45 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.482 0.713 . . . . 0.0 110.776 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.99 -40.07 83.74 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.761 -0.587 . . . . 0.0 110.485 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.78 -44.23 77.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.235 0.614 . . . . 0.0 111.546 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -65.24 -40.54 94.17 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.97 0.805 . . . . 0.0 111.926 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.53 -30.35 70.64 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 112.862 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 32.2 m -73.1 -46.44 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.53 1.132 . . . . 0.0 110.645 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.4 tp -57.85 -38.59 75.94 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 112.909 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.55 -23.37 64.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.561 0.745 . . . . 0.0 112.905 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -83.44 -25.02 31.6 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 120.958 -1.089 . . . . 0.0 113.203 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.92 -22.02 65.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.136 . . . . 0.0 112.237 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -73.8 -20.79 60.36 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.367 -0.833 . . . . 0.0 112.895 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.71 6.54 8.67 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.924 0.89 . . . . 0.0 112.704 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -117.19 1.53 12.5 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.397 1.879 . . . . 0.0 112.99 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -126.55 83.66 2.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.003 2.121 . . . . 0.0 109.115 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.3 t -84.3 -5.68 59.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.754 1.222 . . . . 0.0 113.872 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.9 -12.39 60.52 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.535 1.54 . . . . 0.0 113.666 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 59.77 25.99 15.08 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.482 1.913 . . . . 0.0 113.022 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -71.6 -34.46 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.447 1.499 . . . . 0.0 112.122 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -108.47 -18.6 13.7 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.024 1.33 . . . . 0.0 112.22 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -54.38 -24.08 18.23 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.139 1.376 . . . . 0.0 114.112 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.15 152.73 80.69 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.864 1.666 . . . . 0.0 112.406 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.5 149.78 62.68 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 125.01 3.806 . . . . 0.0 113.312 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.23 125.1 91.17 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 124.399 1.08 . . . . 0.0 109.876 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 124.53 7.56 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 0.0 111.745 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.92 -16.94 62.12 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 27.9 m -68.63 -27.33 65.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.879 0.872 . . . . 0.0 112.559 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -94.04 -34.0 13.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.28 1.032 . . . . 0.0 112.017 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.16 81.2 69.19 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 110.098 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.01 -14.56 16.87 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.227 2.618 . . . . 0.0 112.988 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -98.82 11.9 37.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.676 1.59 . . . . 0.0 112.918 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -56.81 -38.24 72.31 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.864 -1.147 . . . . 0.0 112.512 -175.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.52 -20.18 54.65 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.272 1.429 . . . . 0.0 113.231 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -79.72 -25.13 41.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.6 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -99.58 -29.59 12.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.131 0.972 . . . . 0.0 113.424 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.4 mm -116.53 121.28 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.821 1.248 . . . . 0.0 111.133 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -75.14 -31.16 60.99 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.92 1.288 . . . . 0.0 114.106 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -141.05 73.49 26.57 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 126.035 1.734 . . . . 0.0 111.225 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.46 135.65 16.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.721 2.947 . . . . 0.0 111.483 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.9 tpt -148.4 157.68 43.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.393 1.077 . . . . 0.0 113.507 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -151.74 166.38 31.52 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 112.025 -174.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.19 -30.27 70.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.56 -39.55 84.95 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.794 0.724 . . . . 0.0 110.729 174.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -34.78 76.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.399 1.08 . . . . 0.0 111.464 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 61.6 mmm -57.16 -55.01 40.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.895 0.878 . . . . 0.0 110.617 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.85 -42.54 98.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 112.68 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -61.7 -48.38 81.05 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.498 1.119 . . . . 0.0 111.77 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.61 -35.14 79.94 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.42 -43.65 66.36 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.403 -0.811 . . . . 0.0 111.853 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.58 -10.28 59.6 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.818 0.847 . . . . 0.0 113.027 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.38 1.46 49.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.733 1.613 . . . . 0.0 113.343 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 64.4 41.87 5.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.732 1.613 . . . . 0.0 112.652 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -93.91 -13.47 27.1 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.367 1.067 . . . . 0.0 113.763 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -92.39 -67.69 0.84 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.036 0.935 . . . . 0.0 113.005 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 2.71 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.751 2.421 . . . . 0.0 115.693 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -153.51 139.3 18.01 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.637 1.975 . . . . 0.0 108.838 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.64 -27.29 69.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.031 0.533 . . . . 0.0 111.206 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -65.44 -26.6 68.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 113.26 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -89.91 -37.62 14.27 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.272 1.029 . . . . 0.0 111.655 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -63.51 -39.42 94.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.388 1.075 . . . . 0.0 112.336 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.18 -40.01 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.547 1.139 . . . . 0.0 111.895 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.07 -31.75 70.73 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.211 -0.93 . . . . 0.0 113.299 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.56 -26.29 59.86 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.684 -0.635 . . . . 0.0 112.638 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.07 -41.61 73.92 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.109 -0.994 . . . . 0.0 110.741 169.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -58.92 -29.78 67.35 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.255 0.622 . . . . 0.0 112.185 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.48 -45.55 90.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.011 0.925 . . . . 0.0 111.721 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.33 -47.17 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.546 1.139 . . . . 0.0 110.975 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.03 -50.43 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.225 1.01 . . . . 0.0 110.352 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.3 t -58.43 -39.29 79.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.995 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -59.55 -29.65 68.07 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.027 -1.045 . . . . 0.0 113.559 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 17.8 t -79.9 -42.78 23.46 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.761 0.71 . . . . 0.0 111.67 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.62 -20.36 64.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.008 0.923 . . . . 0.0 112.324 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -89.21 -19.06 25.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -149.75 69.44 1.03 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.039 1.335 . . . . 0.0 112.956 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.68 152.88 5.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.173 1.789 . . . . 0.0 110.508 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.9 32.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.909 0.862 . . . . 0.0 112.666 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 6.07 1.64 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 117.245 2.313 . . . . 0.0 117.245 -169.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -148.21 16.95 1.07 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.751 1.22 . . . . 0.0 114.139 -170.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.5 p -94.0 162.81 13.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.575 1.15 . . . . 0.0 112.941 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.47 -42.74 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.368 1.067 . . . . 0.0 111.054 169.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.429 ' HB3' HH32 ' A' ' 5' ' ' ALY . 47.4 m-85 -67.05 -43.98 81.32 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.78 1.232 . . . . 0.0 111.842 -173.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.24 -44.3 95.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.117 0.567 . . . . 0.0 110.799 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.1 -35.79 82.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.174 0.99 . . . . 0.0 113.228 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.9 72.72 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.454 1.024 . . . . 0.0 112.539 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.65 75.78 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.693 -0.63 . . . . 0.0 112.593 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.55 -41.77 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 0.0 110.602 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.479 0.712 . . . . 0.0 111.534 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.14 -46.02 92.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.057 0.943 . . . . 0.0 112.639 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -59.71 -31.31 69.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.445 1.098 . . . . 0.0 113.339 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -89.0 -65.6 1.0 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.768 1.227 . . . . 0.0 111.679 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -69.75 -47.01 64.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.619 0.768 . . . . 0.0 112.538 -169.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.463 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.52 -13.03 79.33 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.64 0.654 . . . . 0.0 113.282 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.0 -33.02 86.12 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 118.167 0.984 . . . . 0.0 110.646 169.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.68 81.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.916 0.886 . . . . 0.0 112.08 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.463 HG23 ' HA2' ' B' ' 140' ' ' GLY . 49.1 t -63.0 -39.87 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.892 0.877 . . . . 0.0 111.746 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.08 -40.16 82.76 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.491 0.716 . . . . 0.0 111.386 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -68.24 -45.14 74.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.091 0.956 . . . . 0.0 113.205 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.22 -35.24 77.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.282 1.033 . . . . 0.0 112.067 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.58 -25.13 22.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.742 0.817 . . . . 0.0 112.666 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -61.15 -27.5 68.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.719 1.208 . . . . 0.0 112.394 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -64.01 -22.3 66.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -70.59 -26.03 63.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.15 15.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.424 1.09 . . . . 0.0 112.122 171.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -66.14 -34.15 77.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -26.52 68.59 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -102.97 -17.92 15.24 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.211 1.405 . . . . 0.0 114.17 176.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.92 -6.38 82.42 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.131 1.348 . . . . 0.0 113.997 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 22.4 t -67.42 134.43 51.4 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.753 1.221 . . . . 0.0 112.545 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -115.2 -170.59 16.33 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.725 1.631 . . . . 0.0 113.858 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -81.25 4.06 7.3 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.529 3.486 . . . . 0.0 114.344 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 65.0 m -124.64 149.24 47.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.881 1.672 . . . . 0.0 111.869 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 28.7 m 65.58 33.05 8.84 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.459 1.504 . . . . 0.0 113.865 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 C-N-CA 125.849 1.69 . . . . 0.0 112.967 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.12 -128.23 28.09 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.067 0.841 . . . . 0.0 112.09 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 72.64 173.53 0.3 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.463 1.905 . . . . 0.0 114.014 172.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.37 164.81 54.36 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.27 1.414 . . . . 0.0 113.348 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.453 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.05 159.62 31.69 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.807 1.194 . . . . 0.0 113.768 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.94 -137.77 9.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 125.678 1.609 . . . . 0.0 112.764 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 147.52 52.28 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.633 1.573 . . . . 0.0 111.692 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.59 177.32 34.57 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.095 1.331 . . . . 0.0 114.125 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 128.192 2.597 . . . . 0.0 112.233 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -158.69 135.37 9.52 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.827 1.251 . . . . 0.0 110.782 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.6 t -167.63 141.45 3.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.282 1.433 . . . . 0.0 111.516 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.33 1.29 69.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.924 1.25 . . . . 0.0 113.914 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -85.4 -10.13 56.65 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.495 1.148 . . . . 0.0 113.664 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -82.88 73.74 9.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.494 -1.379 . . . . 0.0 112.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.7 -35.67 62.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.039 1.304 . . . . 0.0 113.33 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -58.32 -39.88 80.57 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.129 0.965 . . . . 0.0 112.348 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.19 -20.19 64.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.939 0.896 . . . . 0.0 112.922 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.6 -37.8 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.896 0.878 . . . . 0.0 111.14 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 64.9 mt -52.86 -39.6 62.73 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.091 0.957 . . . . 0.0 111.798 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.85 -27.9 65.22 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.52 0.728 . . . . 0.0 111.535 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -69.74 -48.66 58.62 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.743 0.817 . . . . 0.0 110.028 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -34.85 76.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.489 1.116 . . . . 0.0 112.107 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -76.52 -48.01 20.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.477 1.111 . . . . 0.0 111.389 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.94 -39.92 79.24 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.669 1.122 . . . . 0.0 112.663 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.13 -27.51 65.63 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -74.88 -31.75 61.68 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.526 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.53 -31.88 73.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.302 0.956 . . . . 0.0 112.191 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -71.82 -22.38 61.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.957 0.799 . . . . 0.0 112.906 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -74.06 -16.42 61.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.092 0.86 . . . . 0.0 112.697 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.14 -9.12 56.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.374 1.07 . . . . 0.0 113.872 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -108.85 79.79 1.26 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.971 1.708 . . . . 0.0 110.059 171.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -84.49 -5.67 59.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.628 1.171 . . . . 0.0 113.957 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.07 -10.49 64.37 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.481 1.515 . . . . 0.0 113.772 169.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.46 24.73 14.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.663 1.985 . . . . 0.0 113.143 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.71 -35.64 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.321 1.449 . . . . 0.0 112.111 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -110.03 -20.79 12.59 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 112.225 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -60.47 -19.64 57.3 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.833 1.253 . . . . 0.0 113.701 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -125.62 153.09 72.82 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.787 1.635 . . . . 0.0 111.77 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.47 144.53 61.53 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 124.56 3.506 . . . . 0.0 112.341 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -61.12 126.53 86.24 Favored Pre-proline 0 N--CA 1.482 1.127 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.574 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.74 111.08 3.21 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.507 2.805 . . . . 0.0 111.051 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.27 -19.95 61.61 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -26.35 68.5 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.258 1.023 . . . . 0.0 113.042 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.97 1.67 14.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.044 1.338 . . . . 0.0 114.027 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 t -143.4 75.4 16.78 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.494 1.518 . . . . 0.0 110.102 172.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.15 -10.29 16.45 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.144 2.563 . . . . 0.0 113.471 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -102.82 5.31 38.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.717 1.207 . . . . 0.0 113.018 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.83 -44.28 81.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.497 1.119 . . . . 0.0 112.257 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.78 -19.9 60.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.362 1.465 . . . . 0.0 113.235 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -82.85 -20.53 35.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.438 1.095 . . . . 0.0 112.712 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -104.29 -36.48 7.6 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.752 1.221 . . . . 0.0 113.37 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.2 119.2 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.428 1.091 . . . . 0.0 110.18 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -75.67 -28.21 58.61 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -139.9 81.2 19.46 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.9 1.68 . . . . 0.0 109.564 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -81.72 138.55 10.66 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.465 2.776 . . . . 0.0 111.186 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.0 ttt -163.12 154.09 16.85 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -170.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -146.54 172.67 13.21 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.406 2.282 . . . . 0.0 110.573 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -57.48 -29.92 64.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.79 -40.86 96.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.083 0.553 . . . . 0.0 111.38 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 27.2 m -67.68 -39.21 84.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.713 1.205 . . . . 0.0 111.296 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.0 mtp -59.95 -51.82 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.217 0.462 . . . . 0.0 111.495 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -55.19 -46.18 75.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.604 1.162 . . . . 0.0 112.887 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -63.77 -46.13 86.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.095 0.958 . . . . 0.0 112.129 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.4 -40.61 97.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.271 0.628 . . . . 0.0 112.15 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.97 -41.13 82.86 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.007 -1.058 . . . . 0.0 111.863 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.2 -10.21 52.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.358 1.063 . . . . 0.0 113.52 173.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.47 7.44 37.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.721 1.608 . . . . 0.0 113.047 171.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 64.66 27.92 13.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.558 1.943 . . . . 0.0 113.647 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -74.57 -13.35 60.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.298 . . . . 0.0 113.68 -171.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -104.2 105.1 15.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.359 1.464 . . . . 0.0 111.522 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.63 -6.51 27.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.887 1.275 . . . . 0.0 113.479 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -150.64 157.94 43.57 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.746 1.218 . . . . 0.0 110.8 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -67.94 -22.55 65.04 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.18 -47.87 83.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.617 1.167 . . . . 0.0 112.467 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -74.66 -31.95 62.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.495 0.718 . . . . 0.0 112.291 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.52 -40.07 85.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.546 1.138 . . . . 0.0 111.79 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.37 -42.0 75.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.562 1.145 . . . . 0.0 111.491 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.65 -33.48 75.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.987 0.915 . . . . 0.0 113.311 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -73.56 -22.02 60.19 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.03 -43.45 62.03 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.087 -1.008 . . . . 0.0 109.588 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -58.56 -32.98 69.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.384 0.673 . . . . 0.0 111.989 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.86 -44.8 96.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.863 0.865 . . . . 0.0 111.934 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.05 -41.24 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.357 1.063 . . . . 0.0 111.305 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.61 -56.13 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.423 0.689 . . . . 0.0 110.483 172.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -65.76 -29.17 69.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.95 70.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.932 1.693 . . . . 0.0 111.562 170.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 47.8 t -80.47 -42.98 21.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.163 0.585 . . . . 0.0 111.678 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.87 -22.01 66.72 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.748 0.819 . . . . 0.0 112.073 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -78.74 -51.58 9.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.554 1.142 . . . . 0.0 112.993 169.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -103.66 63.0 0.77 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.394 1.077 . . . . 0.0 113.067 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.1 160.76 10.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.584 1.154 . . . . 0.0 112.721 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.7 172.97 11.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.015 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -89.15 7.04 37.24 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -138.39 30.95 2.37 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.858 1.663 . . . . 0.0 112.606 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 71.7 p -121.98 162.33 21.3 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.576 1.551 . . . . 0.0 112.691 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.16 -44.27 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.784 1.234 . . . . 0.0 112.233 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.453 ' HB3' HH32 ' A' ' 5' ' ' ALY . 48.2 m-85 -67.46 -42.01 83.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.046 0.939 . . . . 0.0 112.523 -169.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -59.16 -45.83 89.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.355 0.662 . . . . 0.0 111.125 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.83 0.852 . . . . 0.0 113.169 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.76 78.02 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.452 1.024 . . . . 0.0 112.13 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.66 76.11 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.603 -0.686 . . . . 0.0 112.597 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.19 -39.81 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.213 0.605 . . . . 0.0 110.918 170.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.35 -37.09 85.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.482 0.713 . . . . 0.0 112.168 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.06 -46.5 77.56 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.086 0.954 . . . . 0.0 111.973 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -58.08 -33.04 68.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.307 1.043 . . . . 0.0 113.144 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.15 -67.21 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.888 1.275 . . . . 0.0 111.536 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.39 -45.64 68.79 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -169.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.462 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.07 -13.76 78.5 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.645 0.657 . . . . 0.0 113.242 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.26 89.44 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 169.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.61 -40.76 84.69 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.665 0.786 . . . . 0.0 111.747 169.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.462 HG23 ' HA2' ' B' ' 140' ' ' GLY . 57.6 t -61.25 -38.27 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.22 1.008 . . . . 0.0 111.911 -176.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.69 -40.42 76.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.293 0.637 . . . . 0.0 111.459 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -72.47 -41.18 66.32 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.06 -34.19 77.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.624 0.77 . . . . 0.0 112.057 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.53 -27.4 20.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.939 0.896 . . . . 0.0 112.236 -170.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -58.58 -30.84 67.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.381 1.073 . . . . 0.0 111.563 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.38 -24.71 66.68 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.61 -19.79 60.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 112.746 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.56 -37.22 12.01 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.248 1.419 . . . . 0.0 112.822 171.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.09 -33.23 75.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.797 0.839 . . . . 0.0 112.948 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -23.58 67.36 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.2 mtt -66.0 -25.56 67.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.553 1.141 . . . . 0.0 112.613 173.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -105.26 16.21 45.8 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.5 2.0 . . . . 0.0 115.171 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 94.1 p -141.58 156.7 45.68 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.708 1.254 . . . . 0.0 113.521 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -96.55 -174.67 35.48 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 125.315 1.436 . . . . 0.0 113.922 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -72.39 163.13 39.55 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.251 3.301 . . . . 0.0 111.871 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 73.7 m -141.27 141.36 33.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.108 1.363 . . . . 0.0 111.345 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 40.6 m -136.5 19.28 3.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.647 1.179 . . . . 0.0 113.468 -170.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 C-N-CA 125.4 1.476 . . . . 0.0 112.586 -177.677 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.301 0.096 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.51 147.79 24.53 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.261 0.934 . . . . 0.0 112.649 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.83 141.51 8.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.85 1.66 . . . . 0.0 111.099 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.01 -23.85 11.08 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.524 1.059 . . . . 0.0 114.543 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.605 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.67 161.17 14.08 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.555 2.979 . . . . 0.0 112.02 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.86 -106.36 0.39 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 125.042 1.306 . . . . 0.0 111.192 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt 59.78 75.47 0.4 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.836 1.654 . . . . 0.0 113.006 172.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.83 113.96 4.6 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.216 0.912 . . . . 0.0 111.056 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.684 1.994 . . . . 0.0 110.527 -173.232 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t 71.57 -58.89 0.57 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.642 2.377 . . . . 0.0 113.449 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m 63.23 15.54 8.68 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.157 1.783 . . . . 0.0 114.757 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.0 -7.44 85.47 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 116.486 1.354 . . . . 0.0 116.486 -169.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 14.3 t -159.92 144.75 14.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.229 1.514 . . . . 0.0 111.968 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -168.02 104.29 0.47 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.512 1.525 . . . . 0.0 111.461 -172.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.47 -40.47 2.97 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.382 0.991 . . . . 0.0 113.114 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.55 -36.3 73.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.833 1.253 . . . . 0.0 112.654 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.35 -20.69 62.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.96 0.904 . . . . 0.0 113.129 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.8 -32.91 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.166 0.987 . . . . 0.0 110.601 171.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.25 -44.11 92.8 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.701 -0.624 . . . . 0.0 110.605 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.57 -45.54 65.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.56 0.344 . . . . 0.0 111.533 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -62.81 -28.77 70.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.35 -46.33 20.28 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.882 0.873 . . . . 0.0 112.38 171.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.5 m -62.42 -40.58 97.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.915 1.286 . . . . 0.0 111.862 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.77 -34.39 69.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -70.42 -28.18 64.85 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.251 0.62 . . . . 0.0 112.01 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -75.45 -30.11 59.87 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.671 0.788 . . . . 0.0 111.593 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.03 -27.41 67.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.998 0.817 . . . . 0.0 112.65 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.34 -22.61 59.15 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.034 0.833 . . . . 0.0 112.696 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.87 -18.83 62.68 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.977 0.808 . . . . 0.0 112.502 170.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -87.83 1.31 54.28 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.973 1.309 . . . . 0.0 113.572 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -123.03 79.2 1.63 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.362 1.865 . . . . 0.0 109.753 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.8 t -82.45 -6.23 59.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.87 1.268 . . . . 0.0 113.843 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.04 -12.42 61.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.515 1.531 . . . . 0.0 113.693 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 60.01 28.33 17.85 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.29 1.836 . . . . 0.0 112.978 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.8 mt -76.31 -30.94 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.907 1.683 . . . . 0.0 111.779 -174.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -113.94 -13.74 12.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.995 1.718 . . . . 0.0 112.755 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -60.87 -18.88 58.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.167 1.387 . . . . 0.0 113.861 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -133.83 158.11 76.24 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 112.082 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.75 152.1 74.23 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.624 3.549 . . . . 0.0 111.984 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -67.15 129.6 93.85 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 110.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.55 112.59 3.26 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.34 2.693 . . . . 0.0 110.819 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.11 -24.23 63.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.234 0.613 . . . . 0.0 112.307 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -62.46 -17.81 60.33 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.956 1.303 . . . . 0.0 113.931 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.65 4.47 10.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.211 1.405 . . . . 0.0 113.926 171.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 t -149.55 77.41 8.78 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.677 1.591 . . . . 0.0 108.964 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.28 -11.75 14.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.067 2.511 . . . . 0.0 113.365 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.94 2.85 49.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.38 1.072 . . . . 0.0 112.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.77 -40.99 73.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.539 1.135 . . . . 0.0 112.434 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.21 -21.66 58.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.086 1.354 . . . . 0.0 113.367 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -84.74 -24.25 28.92 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.514 1.125 . . . . 0.0 112.533 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -97.53 -37.74 9.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.405 1.082 . . . . 0.0 112.665 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.7 118.44 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.525 1.13 . . . . 0.0 109.971 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.41 -27.97 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.222 1.009 . . . . 0.0 113.616 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -137.96 83.81 22.56 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.648 1.579 . . . . 0.0 111.261 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.37 123.66 7.26 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.989 1.793 . . . . 0.0 109.356 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.56 164.51 38.11 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -169.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -168.33 174.54 6.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.012 1.725 . . . . 0.0 112.69 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.87 -25.32 68.11 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -70.44 -37.77 74.41 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.907 1.23 . . . . 0.0 110.924 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.6 m -69.51 -36.51 76.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.362 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.04 -54.43 43.12 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.944 0.793 . . . . 0.0 110.155 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -56.17 -46.38 79.35 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 113.0 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.58 -44.66 89.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.839 0.856 . . . . 0.0 112.024 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -66.81 -30.52 70.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -77.38 -39.29 47.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.379 1.072 . . . . 0.0 112.183 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.94 -15.96 63.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.354 1.062 . . . . 0.0 112.992 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.01 -7.34 22.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.715 1.606 . . . . 0.0 113.461 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 71.92 51.84 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.176 2.191 . . . . 0.0 112.188 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -15.15 39.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.852 1.261 . . . . 0.0 114.211 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -83.38 -78.22 0.23 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.904 0.882 . . . . 0.0 113.369 -170.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 67.29 -0.68 1.73 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.03 2.532 . . . . 0.0 115.287 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -148.22 138.89 22.95 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 126.581 1.952 . . . . 0.0 108.896 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -66.71 -24.76 66.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.219 0.608 . . . . 0.0 111.529 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.53 -39.92 85.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.979 0.912 . . . . 0.0 112.068 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -75.51 -38.13 59.65 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.235 1.014 . . . . 0.0 112.167 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.28 -37.7 87.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 111.936 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.37 -40.86 66.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.937 1.295 . . . . 0.0 111.742 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.12 -32.55 70.63 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.065 -1.022 . . . . 0.0 113.693 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -74.49 -30.79 61.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.514 -0.741 . . . . 0.0 111.784 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.0 -43.56 98.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.849 -1.157 . . . . 0.0 111.01 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -58.4 -32.25 68.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.541 0.736 . . . . 0.0 112.457 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.3 -39.94 94.93 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.126 0.971 . . . . 0.0 112.323 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.9 mt -69.62 -39.48 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.844 1.257 . . . . 0.0 111.061 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.36 -52.35 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.287 0.635 . . . . 0.0 109.751 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -59.8 -34.14 72.65 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.598 1.159 . . . . 0.0 113.75 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -34.82 62.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.768 1.227 . . . . 0.0 113.164 174.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.6 t -79.51 -49.95 11.49 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.355 0.525 . . . . 0.0 110.784 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.47 -24.93 49.16 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.046 1.339 . . . . 0.0 112.657 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -91.74 -18.57 23.72 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.545 1.938 . . . . 0.0 114.445 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -136.02 75.45 1.55 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.561 1.544 . . . . 0.0 111.953 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -160.49 -167.88 2.0 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.392 1.477 . . . . 0.0 112.812 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -138.63 162.77 33.8 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.995 1.718 . . . . 0.0 110.196 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -68.35 2.22 2.44 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.81 9.45 3.07 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.156 1.382 . . . . 0.0 114.059 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.6 p -89.22 158.22 17.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.843 0.857 . . . . 0.0 112.628 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -61.33 -40.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.337 1.055 . . . . 0.0 111.637 169.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.605 ' HB3' HH32 ' A' ' 5' ' ' ALY . 30.9 m-85 -67.71 -36.8 81.28 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.709 1.204 . . . . 0.0 112.749 -172.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -56.59 -54.81 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.159 0.983 . . . . 0.0 110.979 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.79 -29.01 68.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.13 0.972 . . . . 0.0 112.96 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.25 86.92 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.414 1.006 . . . . 0.0 112.631 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.22 73.18 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.49 -0.756 . . . . 0.0 112.221 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.2 -37.73 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.309 0.644 . . . . 0.0 111.053 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -60.17 -44.77 94.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.884 0.874 . . . . 0.0 111.92 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.71 -45.65 93.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.914 0.886 . . . . 0.0 112.2 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -58.15 -31.0 66.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.898 0.879 . . . . 0.0 113.139 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.1 -64.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.823 1.249 . . . . 0.0 111.724 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.22 -40.51 71.07 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -169.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.441 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.75 -8.15 87.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.63 0.65 . . . . 0.0 113.07 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.13 94.32 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.338 1.069 . . . . 0.0 110.68 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.41 90.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.607 0.763 . . . . 0.0 112.055 170.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.441 HG23 ' HA2' ' B' ' 140' ' ' GLY . 46.5 t -63.21 -39.72 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.733 0.813 . . . . 0.0 111.182 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.4 -36.04 76.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.567 0.747 . . . . 0.0 111.478 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -68.33 -52.48 33.0 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.387 0.994 . . . . 0.0 113.445 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -61.86 -36.41 81.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.21 1.004 . . . . 0.0 111.708 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.84 -28.37 24.48 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.049 0.939 . . . . 0.0 111.787 -170.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.72 -32.42 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 111.623 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -64.96 -24.63 67.58 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.168 -0.957 . . . . 0.0 113.467 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -71.1 -23.82 62.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.98 0.912 . . . . 0.0 112.492 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -43.33 12.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.54 1.136 . . . . 0.0 111.912 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -65.75 -34.34 77.96 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -27.4 69.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -103.93 -14.02 16.13 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.261 1.424 . . . . 0.0 113.569 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.55 14.76 64.7 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.434 1.968 . . . . 0.0 114.088 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 44.3 m -126.07 149.25 49.02 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.566 1.546 . . . . 0.0 111.569 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 72.93 -150.72 44.76 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 123.859 0.742 . . . . 0.0 112.48 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -82.92 0.74 9.5 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.168 3.245 . . . . 0.0 114.053 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 20.2 m 64.91 12.46 7.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.373 1.869 . . . . 0.0 114.291 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 18.1 t -72.75 129.4 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.738 -1.226 . . . . 0.0 112.29 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 125.36 1.457 . . . . 0.0 113.032 179.214 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.336 0.113 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.67 178.02 43.32 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.711 1.148 . . . . 0.0 113.9 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -130.48 127.7 39.73 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.589 1.556 . . . . 0.0 110.074 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 -33.22 11.37 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.578 1.085 . . . . 0.0 113.887 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.707 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.82 165.71 28.58 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.28 1.895 . . . . 0.0 113.113 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 135.55 25.19 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.905 0.764 . . . . 0.0 111.42 178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -97.6 13.38 30.31 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.84 121.84 24.53 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.341 0.972 . . . . 0.0 111.852 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.605 1.962 . . . . 0.0 110.295 -171.627 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -166.3 -40.94 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.285 1.434 . . . . 0.0 111.735 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.1 p -123.46 160.8 26.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.938 1.695 . . . . 0.0 111.446 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.82 170.75 40.03 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.249 0.928 . . . . 0.0 113.918 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.5 m -79.93 -8.6 59.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -111.89 -76.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.669 1.187 . . . . 0.0 112.147 -176.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.97 -63.95 1.59 Allowed Glycine 0 C--N 1.339 0.731 0 C-N-CA 126.871 2.177 . . . . 0.0 111.469 -173.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -58.32 -47.51 83.5 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.762 1.225 . . . . 0.0 112.362 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -23.15 67.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.37 1.068 . . . . 0.0 112.865 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mt -80.14 -37.89 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.02 1.328 . . . . 0.0 110.873 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.68 -42.49 75.24 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.718 0.807 . . . . 0.0 110.617 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.55 -32.95 72.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.955 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -59.55 -52.72 64.33 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.147 0.885 . . . . 0.0 110.372 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.71 -35.31 80.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.49 1.116 . . . . 0.0 113.03 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 m -72.92 -47.88 41.87 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.771 1.229 . . . . 0.0 111.072 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.92 -39.44 77.98 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.32 -22.14 64.72 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -82.88 -28.73 29.81 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.321 0.964 . . . . 0.0 112.236 172.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.59 -31.6 72.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.016 1.28 . . . . 0.0 111.466 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -69.71 -23.13 63.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.479 0.712 . . . . 0.0 112.768 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.26 -18.51 60.07 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.131 0.878 . . . . 0.0 112.575 172.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -89.02 6.76 38.19 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.028 1.331 . . . . 0.0 113.736 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -121.9 79.47 1.58 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.791 1.637 . . . . 0.0 109.929 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 70.5 p -83.25 -5.74 59.23 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.431 1.492 . . . . 0.0 114.197 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -12.7 58.1 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.138 1.828 . . . . 0.0 113.959 169.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.4 28.22 17.85 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 112.968 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -76.45 -28.94 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.75 1.62 . . . . 0.0 111.89 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -115.7 -17.18 11.16 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.107 1.763 . . . . 0.0 112.515 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.4 m -58.58 -23.77 59.37 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.173 1.389 . . . . 0.0 113.908 173.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -130.74 152.51 80.63 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.742 1.617 . . . . 0.0 111.656 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.88 146.35 71.56 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.657 3.572 . . . . 0.0 112.826 -174.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.4 124.07 84.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 0.0 109.979 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -75.13 118.03 5.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.24 2.627 . . . . 0.0 111.449 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.15 -17.38 62.55 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.68 0.792 . . . . 0.0 112.778 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -68.06 -27.35 66.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 112.581 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -94.44 -32.61 13.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.379 1.072 . . . . 0.0 112.046 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.8 t -132.87 80.09 61.78 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.024 1.33 . . . . 0.0 110.318 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.31 -14.49 16.41 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.345 2.697 . . . . 0.0 113.443 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.34 4.09 50.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.623 1.169 . . . . 0.0 113.007 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -55.39 -43.38 75.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.113 0.965 . . . . 0.0 112.203 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -76.09 -20.47 57.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.876 1.271 . . . . 0.0 113.432 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.8 -27.79 40.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.08 0.952 . . . . 0.0 112.474 174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -94.03 -35.22 12.7 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.29 1.036 . . . . 0.0 113.024 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mm -101.52 113.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.774 1.23 . . . . 0.0 110.35 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -71.88 -24.66 61.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -149.25 77.94 8.82 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 126.214 1.806 . . . . 0.0 111.58 -174.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.26 152.02 30.42 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.277 3.318 . . . . 0.0 112.184 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -163.45 156.86 19.13 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.763 1.625 . . . . 0.0 112.499 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -151.7 170.55 19.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.815 2.446 . . . . 0.0 110.557 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.38 -23.25 66.71 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.17 -44.91 82.67 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.973 0.806 . . . . 0.0 110.984 172.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 32.5 m -65.34 -39.31 92.23 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.224 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 77.3 mmm -54.15 -54.51 38.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.929 0.892 . . . . 0.0 111.262 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -58.74 -43.47 90.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.733 0.813 . . . . 0.0 112.927 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -63.5 -44.31 94.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.035 0.834 . . . . 0.0 112.206 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.02 -37.71 85.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.426 0.69 . . . . 0.0 111.876 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.93 69.08 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.796 -1.19 . . . . 0.0 112.139 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.14 -11.94 60.03 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.554 1.142 . . . . 0.0 113.243 174.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 9.72 36.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.115 1.766 . . . . 0.0 113.05 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 63.34 23.77 13.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.101 1.76 . . . . 0.0 113.911 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.6 -24.0 65.44 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 112.952 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -91.84 103.0 15.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.797 1.239 . . . . 0.0 111.785 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.98 -11.98 21.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.301 1.441 . . . . 0.0 113.047 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.64 146.89 31.5 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.395 1.878 . . . . 0.0 110.137 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.6 -26.65 65.48 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.53 -43.84 80.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.64 1.176 . . . . 0.0 112.645 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -72.29 -36.85 69.05 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.686 0.794 . . . . 0.0 112.36 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.96 -36.13 81.51 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.014 0.926 . . . . 0.0 111.779 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.67 -41.69 59.83 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.709 1.204 . . . . 0.0 111.841 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -66.85 -33.55 75.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.074 -1.016 . . . . 0.0 113.055 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -74.31 -25.59 59.65 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.651 -0.655 . . . . 0.0 112.387 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.5 -43.22 70.13 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.95 -1.094 . . . . 0.0 110.296 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -58.12 -31.09 66.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.208 0.603 . . . . 0.0 112.158 172.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.2 -44.04 93.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.879 0.872 . . . . 0.0 111.877 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.26 -47.05 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.122 0.969 . . . . 0.0 110.848 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.17 -52.18 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.989 0.916 . . . . 0.0 110.53 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t -58.79 -45.07 90.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.592 0.757 . . . . 0.0 112.383 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.61 -24.53 67.08 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.193 -0.942 . . . . 0.0 113.471 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -72.42 -50.46 26.18 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.091 0.556 . . . . 0.0 110.987 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.92 -27.95 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 112.213 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -77.76 -13.54 59.86 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.861 1.664 . . . . 0.0 114.833 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -131.85 49.52 2.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.571 1.548 . . . . 0.0 112.649 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -152.07 154.2 35.46 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.041 1.336 . . . . 0.0 111.185 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.32 166.76 21.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.059 0.944 . . . . 0.0 111.342 170.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.52 4.45 3.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -140.79 16.18 2.32 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.644 1.578 . . . . 0.0 115.181 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 43.8 p -94.2 159.62 15.06 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.126 0.97 . . . . 0.0 112.382 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.72 -38.78 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.416 1.087 . . . . 0.0 112.198 171.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.707 ' HB3' HH32 ' A' ' 5' ' ' ALY . 25.2 m-85 -70.87 -33.8 70.97 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.971 0.909 . . . . 0.0 112.932 -172.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -59.78 -46.8 88.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.8 0.44 . . . . 0.0 110.663 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.89 -30.08 66.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.168 0.987 . . . . 0.0 113.264 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.21 74.45 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.366 0.985 . . . . 0.0 112.71 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.82 -33.78 64.3 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.24 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.339 0.656 . . . . 0.0 110.674 171.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -42.29 97.63 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.351 0.66 . . . . 0.0 111.735 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.01 -45.7 91.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.954 0.797 . . . . 0.0 112.432 171.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -58.02 -32.5 68.01 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.254 1.021 . . . . 0.0 113.116 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -85.69 -66.31 0.91 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.881 1.273 . . . . 0.0 111.633 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -70.04 -47.34 62.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.476 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.09 -14.24 77.46 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 118.501 0.591 . . . . 0.0 113.105 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.66 90.52 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-N 118.186 0.993 . . . . 0.0 110.832 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.86 88.33 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.601 0.76 . . . . 0.0 112.15 169.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.476 HG23 ' HA2' ' B' ' 140' ' ' GLY . 47.7 t -62.08 -34.41 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.273 1.029 . . . . 0.0 111.836 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 75.8 mt -74.29 -40.32 62.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.794 0.837 . . . . 0.0 111.565 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.51 -37.06 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.561 1.144 . . . . 0.0 113.26 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.12 -35.86 66.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.49 1.116 . . . . 0.0 112.42 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.41 25.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.559 0.744 . . . . 0.0 112.927 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -54.61 -35.04 62.97 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.523 1.529 . . . . 0.0 112.034 169.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -68.13 -22.32 64.88 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -73.1 -20.09 61.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.026 0.931 . . . . 0.0 112.641 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.4 -40.19 12.9 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.953 0.901 . . . . 0.0 112.449 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.56 -28.96 66.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -24.23 67.07 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 2.5 mtm -67.56 -22.32 65.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.24 1.016 . . . . 0.0 112.742 171.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.95 4.43 61.04 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 126.34 1.924 . . . . 0.0 115.109 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 74.5 m -63.86 144.32 57.15 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.493 1.147 . . . . 0.0 112.994 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -78.64 172.78 55.3 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.417 1.008 . . . . 0.0 113.753 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.22 157.46 53.73 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 124.09 3.194 . . . . 0.0 111.91 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 85.4 p -161.88 161.29 28.81 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.254 1.422 . . . . 0.0 112.034 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 71.2 m -144.08 129.88 19.31 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.834 1.253 . . . . 0.0 111.028 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.24 0 C-N-CA 125.085 1.326 . . . . 0.0 112.953 178.368 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.461 0.172 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.44 125.38 1.75 Allowed Glycine 0 N--CA 1.469 0.851 0 C-N-CA 124.377 0.989 . . . . 0.0 112.899 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -165.34 160.42 18.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.439 1.896 . . . . 0.0 111.117 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -32.81 8.35 Favored Glycine 0 N--CA 1.469 0.887 0 C-N-CA 124.31 0.957 . . . . 0.0 114.084 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.686 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.34 111.08 1.36 Allowed Glycine 0 N--CA 1.466 0.696 0 C-N-CA 128.491 2.948 . . . . 0.0 111.857 169.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.91 -131.91 40.0 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.823 1.202 . . . . 0.0 111.799 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 150.92 23.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.658 1.583 . . . . 0.0 112.247 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.17 -177.39 51.84 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.994 1.283 . . . . 0.0 113.916 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.527 1.531 . . . . 0.0 111.182 175.292 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -145.78 146.63 31.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 111.388 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -147.74 158.2 43.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.322 1.449 . . . . 0.0 111.464 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.39 -169.7 44.09 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.398 0.999 . . . . 0.0 113.112 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -74.34 157.61 35.44 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.433 0.693 . . . . 0.0 112.354 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.9 m -145.99 157.9 43.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.881 1.672 . . . . 0.0 110.969 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.32 92.24 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 112.856 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.67 -43.02 99.86 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.412 1.085 . . . . 0.0 112.614 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.03 -34.17 77.8 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.888 0.875 . . . . 0.0 111.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 56.0 mt -67.77 -32.47 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.188 0.995 . . . . 0.0 112.137 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.98 -41.29 78.1 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.242 0.928 . . . . 0.0 110.936 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.77 -36.08 75.45 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.904 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -58.33 -48.1 81.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.51 0.724 . . . . 0.0 110.925 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -74.26 -19.55 60.46 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -86.35 -42.31 13.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.497 1.119 . . . . 0.0 111.117 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.62 -41.66 77.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.9 -27.92 69.18 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.698 -0.626 . . . . 0.0 112.685 175.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -78.07 -13.84 59.72 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.727 0.811 . . . . 0.0 112.539 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.75 -38.21 17.14 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.701 1.137 . . . . 0.0 108.947 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -64.61 -33.63 76.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.899 0.879 . . . . 0.0 112.599 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.8 -17.43 64.63 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -85.15 -12.08 53.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.444 1.098 . . . . 0.0 112.67 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.09 79.87 2.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.872 1.669 . . . . 0.0 110.025 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -83.13 -6.81 59.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.086 1.354 . . . . 0.0 114.198 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.94 -11.54 61.48 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.024 1.773 . . . . 0.0 114.151 169.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 61.56 26.35 16.08 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.388 1.875 . . . . 0.0 113.151 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -32.51 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.164 1.786 . . . . 0.0 112.14 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -112.38 -15.69 13.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.949 1.7 . . . . 0.0 112.458 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -62.0 -22.62 65.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 113.86 170.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.28 152.16 79.71 Favored Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.632 1.573 . . . . 0.0 112.123 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.38 150.75 64.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.709 3.606 . . . . 0.0 112.764 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.89 123.41 83.6 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.216 1.007 . . . . 0.0 109.681 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.36 119.64 5.63 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.263 2.642 . . . . 0.0 111.292 -175.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.74 -16.76 62.22 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.5 m -68.61 -27.48 66.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.048 0.939 . . . . 0.0 112.684 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -94.73 -34.85 12.38 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.289 1.036 . . . . 0.0 112.039 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.44 81.99 66.51 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.165 1.386 . . . . 0.0 110.193 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.96 -13.03 17.63 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.199 2.599 . . . . 0.0 113.044 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -99.25 10.21 41.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.604 1.561 . . . . 0.0 113.218 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.18 -36.24 68.14 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.808 -1.182 . . . . 0.0 112.734 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.05 -20.09 56.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.558 1.543 . . . . 0.0 113.483 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.33 -30.95 54.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 112.092 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.6 -37.32 15.74 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.903 0.881 . . . . 0.0 112.477 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.8 mm -118.1 118.43 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.168 1.387 . . . . 0.0 111.081 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -76.36 -27.29 56.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 114.176 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 76.19 30.79 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 125.543 1.537 . . . . 0.0 112.111 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.41 145.86 60.51 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.249 2.632 . . . . 0.0 111.145 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttm -158.38 153.69 25.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 111.876 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -150.83 171.5 17.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 127.354 2.262 . . . . 0.0 110.237 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.18 -23.39 66.58 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -66.45 -44.82 81.75 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.717 0.69 . . . . 0.0 111.371 171.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -67.05 -38.77 86.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.276 1.031 . . . . 0.0 111.126 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mmm -54.47 -55.25 30.83 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.815 0.846 . . . . 0.0 111.045 170.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.49 -46.67 86.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.831 0.852 . . . . 0.0 112.941 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.25 -45.26 95.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.106 0.962 . . . . 0.0 111.777 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -40.76 98.42 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.593 0.757 . . . . 0.0 111.907 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.51 -43.6 76.46 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.017 0.927 . . . . 0.0 111.979 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.32 -12.27 61.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.09 7.18 46.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.783 1.633 . . . . 0.0 113.044 171.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 65.1 28.04 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.498 1.919 . . . . 0.0 113.728 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -68.61 -23.16 64.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.708 1.203 . . . . 0.0 113.379 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.32 100.93 11.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.805 1.242 . . . . 0.0 111.57 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.34 -4.79 44.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.305 1.442 . . . . 0.0 113.01 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -153.44 149.41 27.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.291 1.836 . . . . 0.0 109.97 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.48 -24.93 67.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.306 0.642 . . . . 0.0 111.995 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.12 -42.16 94.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.079 0.952 . . . . 0.0 112.73 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.05 -36.28 64.36 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.859 0.863 . . . . 0.0 112.212 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.74 -38.01 87.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.963 0.905 . . . . 0.0 111.594 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -45.51 67.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.956 1.302 . . . . 0.0 111.27 173.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.42 -35.82 82.06 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.12 -26.13 61.11 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.476 -0.765 . . . . 0.0 112.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.61 -41.21 72.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.043 -1.036 . . . . 0.0 110.447 169.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -58.98 -30.36 67.89 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.651 -0.656 . . . . 0.0 112.066 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 7.5 tp -62.77 -45.64 91.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.048 0.84 . . . . 0.0 111.593 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.27 -47.06 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.149 0.979 . . . . 0.0 110.773 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.21 -57.7 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.042 0.937 . . . . 0.0 110.677 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.3 m -65.46 -31.0 71.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.95 -32.6 74.19 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.255 -0.903 . . . . 0.0 112.538 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -74.01 -42.51 60.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.78 -0.575 . . . . 0.0 111.294 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.94 -29.22 62.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.653 1.181 . . . . 0.0 112.621 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.74 -28.79 66.09 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.602 1.161 . . . . 0.0 113.411 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -129.34 70.06 1.41 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.286 1.434 . . . . 0.0 111.15 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -161.92 154.93 20.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.533 1.533 . . . . 0.0 112.348 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.02 159.74 24.75 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.613 0.721 . . . . 0.0 109.968 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.38 6.24 2.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -169.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -148.81 24.98 0.95 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.762 1.225 . . . . 0.0 113.817 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 82.0 p -88.05 156.9 19.06 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.873 0.844 . . . . 0.0 112.072 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.05 -41.2 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.222 1.009 . . . . 0.0 111.166 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.686 ' HB3' HH32 ' A' ' 5' ' ' ALY . 37.2 m-85 -67.71 -40.77 84.28 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.819 1.247 . . . . 0.0 112.683 -172.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.21 -49.63 76.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.464 0.706 . . . . 0.0 110.867 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -70.57 -24.12 62.71 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.89 86.16 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.602 1.092 . . . . 0.0 111.674 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.36 74.7 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 112.607 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.85 -41.96 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.602 0.637 . . . . 0.0 110.715 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -67.72 -35.06 78.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.004 0.82 . . . . 0.0 112.703 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.79 -43.4 98.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.216 0.916 . . . . 0.0 111.851 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.76 -32.01 71.33 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.47 -66.13 0.93 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.907 1.283 . . . . 0.0 111.457 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.35 -47.74 66.65 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.732 0.813 . . . . 0.0 112.607 -170.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.432 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -80.63 -10.08 85.64 Favored Glycine 0 CA--C 1.532 1.144 0 O-C-N 121.747 -0.595 . . . . 0.0 113.295 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.24 -35.38 90.29 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.56 0.744 . . . . 0.0 111.738 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.432 HG23 ' HA2' ' B' ' 140' ' ' GLY . 48.9 t -63.37 -41.24 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.794 0.838 . . . . 0.0 111.543 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.09 -31.09 68.49 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.541 -0.725 . . . . 0.0 112.059 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -71.73 -51.02 24.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.851 0.86 . . . . 0.0 112.526 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.63 -34.65 78.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.271 1.028 . . . . 0.0 112.154 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.26 -23.6 23.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 112.874 -169.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -65.02 -28.61 69.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.389 1.076 . . . . 0.0 112.331 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.07 -27.42 68.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.117 0.967 . . . . 0.0 113.269 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -70.08 -24.45 63.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.386 1.074 . . . . 0.0 112.628 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.91 -43.72 12.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.494 1.118 . . . . 0.0 112.159 170.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -64.84 -31.33 72.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -22.18 66.96 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -112.13 -16.76 12.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.741 1.616 . . . . 0.0 113.998 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.58 -0.51 79.0 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.792 1.663 . . . . 0.0 113.999 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 10.5 t -157.06 145.59 19.67 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.372 1.469 . . . . 0.0 111.708 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -99.47 -169.23 30.22 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.505 1.526 . . . . 0.0 113.614 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.75 152.87 69.45 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 123.73 2.953 . . . . 0.0 111.117 174.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 15.1 t -74.22 -31.94 62.81 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.3 m 64.34 7.75 3.77 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.65 1.98 . . . . 0.0 115.484 172.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.524 1.535 . . . . 0.0 113.019 179.204 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 119.948 -0.073 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.65 107.75 0.58 Allowed Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.679 1.133 . . . . 0.0 113.22 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -150.72 165.47 33.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.263 2.225 . . . . 0.0 110.568 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.95 173.14 54.6 Favored Glycine 0 N--CA 1.476 1.346 0 C-N-CA 124.539 1.066 . . . . 0.0 112.768 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.06 107.62 0.26 Allowed Glycine 0 N--CA 1.468 0.816 0 C-N-CA 126.474 1.987 . . . . 0.0 111.731 173.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.14 -146.83 45.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.323 0.963 . . . . 0.0 112.242 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.76 160.94 31.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.492 1.517 . . . . 0.0 112.888 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.8 -124.58 2.97 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.558 1.551 . . . . 0.0 112.128 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.46 1.904 . . . . 0.0 112.534 -174.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 65.7 p -123.89 9.82 8.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.008 1.323 . . . . 0.0 113.842 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -70.01 146.28 51.16 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.889 -1.132 . . . . 0.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.84 -155.74 32.17 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.781 1.181 . . . . 0.0 112.584 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.7 p -81.32 137.04 35.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.084 0.953 . . . . 0.0 112.12 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -97.58 95.19 7.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.8 1.24 . . . . 0.0 112.21 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.58 -37.32 6.18 Favored Glycine 0 N--CA 1.472 1.083 0 C-N-CA 124.242 0.925 . . . . 0.0 113.215 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.12 -38.04 75.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.438 1.095 . . . . 0.0 112.643 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.14 -19.6 62.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.161 0.984 . . . . 0.0 113.223 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.22 -28.27 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.129 0.971 . . . . 0.0 110.997 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.42 -49.81 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.548 -0.72 . . . . 0.0 110.106 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.93 -43.38 92.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.892 0.477 . . . . 0.0 111.589 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.22 -33.19 75.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.97 -42.26 63.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.43 0.692 . . . . 0.0 112.351 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.5 m -65.38 -43.55 90.34 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.812 1.245 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.25 -39.36 72.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.934 0.894 . . . . 0.0 112.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -68.62 -24.44 64.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.403 0.681 . . . . 0.0 112.499 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.65 -23.2 34.35 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.403 -0.811 . . . . 0.0 113.035 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.08 -26.76 64.14 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.08 1.309 . . . . 0.0 111.331 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.55 -19.87 62.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.645 -0.659 . . . . 0.0 112.498 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.71 -1.2 37.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.487 1.115 . . . . 0.0 112.753 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -106.79 -26.16 11.4 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.23 1.412 . . . . 0.0 112.618 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -92.1 81.91 5.06 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.093 1.357 . . . . 0.0 109.469 169.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.4 t -84.26 -5.38 59.25 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.785 1.234 . . . . 0.0 113.796 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.75 -11.89 61.38 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.562 1.553 . . . . 0.0 113.734 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 60.82 26.38 16.22 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.335 1.854 . . . . 0.0 113.12 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -75.88 -31.34 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.687 1.595 . . . . 0.0 112.249 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.77 -17.91 12.43 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.626 1.571 . . . . 0.0 112.347 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -59.74 -22.39 62.0 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -135.06 149.12 69.4 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 125.881 1.673 . . . . 0.0 112.646 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -66.82 150.73 83.23 Favored 'Trans proline' 0 CA--C 1.537 0.65 1 C-N-CA 125.463 4.108 . . . . 0.0 112.817 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.69 128.05 93.52 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.246 1.018 . . . . 0.0 110.446 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.0 115.12 4.19 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.341 2.694 . . . . 0.0 110.63 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.83 -22.91 63.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.27 -18.08 56.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 113.939 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.3 9.0 9.71 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.213 1.405 . . . . 0.0 113.375 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -149.65 77.98 8.5 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.275 1.83 . . . . 0.0 109.16 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.24 -12.08 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.166 2.577 . . . . 0.0 113.13 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -100.55 10.12 41.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.415 1.486 . . . . 0.0 113.288 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.2 -39.44 72.45 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.909 -1.12 . . . . 0.0 112.576 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.5 mt -78.3 -20.55 51.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.092 1.357 . . . . 0.0 113.29 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.23 -27.95 38.65 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -97.84 -24.2 15.53 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -119.34 119.89 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.768 1.227 . . . . 0.0 110.884 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.18 -29.09 42.75 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -130.45 78.27 74.51 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 126.392 1.877 . . . . 0.0 110.668 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.36 131.69 10.79 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.847 2.365 . . . . 0.0 110.325 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.8 ttt -157.45 163.97 37.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.886 0.874 . . . . 0.0 112.78 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -153.41 162.99 40.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.728 1.611 . . . . 0.0 112.339 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -54.89 -32.04 60.53 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.382 1.073 . . . . 0.0 113.228 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -64.9 -38.28 90.44 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.865 0.757 . . . . 0.0 111.776 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 15.5 m -68.04 -38.58 82.66 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.954 0.902 . . . . 0.0 111.094 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 85.3 mtp -58.53 -52.16 66.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.961 0.504 . . . . 0.0 111.127 170.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -56.67 -47.58 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.78 1.232 . . . . 0.0 112.636 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.16 -46.07 88.91 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.171 0.988 . . . . 0.0 112.011 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.79 -36.05 82.44 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.31 -40.39 70.85 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.144 -0.972 . . . . 0.0 111.592 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.54 -13.57 62.17 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.132 0.973 . . . . 0.0 113.297 171.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.74 4.31 47.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.875 1.67 . . . . 0.0 113.007 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 64.55 27.05 13.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.572 1.949 . . . . 0.0 113.817 175.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -67.9 -18.98 64.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -104.54 103.26 12.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.782 1.233 . . . . 0.0 111.839 -174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.26 -6.09 28.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.417 1.487 . . . . 0.0 112.924 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -142.28 144.46 33.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.157 1.783 . . . . 0.0 109.755 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.04 -26.88 67.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.21 0.604 . . . . 0.0 112.491 -173.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.04 -40.72 90.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.7 1.2 . . . . 0.0 113.184 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.82 -20.84 48.71 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.143 -0.973 . . . . 0.0 112.732 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -83.66 -11.2 57.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.744 1.618 . . . . 0.0 112.664 170.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.85 -42.06 8.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.224 1.41 . . . . 0.0 111.075 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.22 -30.16 71.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.007 1.323 . . . . 0.0 114.49 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -80.46 -28.04 37.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.226 1.01 . . . . 0.0 113.508 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.04 -42.91 84.02 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.463 169.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -56.52 -35.63 68.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.632 0.773 . . . . 0.0 112.152 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -41.97 98.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.055 0.843 . . . . 0.0 112.087 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.42 -40.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.72 1.208 . . . . 0.0 111.415 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.9 -54.12 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.374 0.67 . . . . 0.0 110.075 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -30.82 71.85 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -52.82 -34.04 52.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.652 1.181 . . . . 0.0 112.575 171.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 6.2 t -82.57 -40.42 20.94 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.958 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.78 -20.35 64.34 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.922 0.889 . . . . 0.0 112.19 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -82.9 -29.02 29.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.514 1.525 . . . . 0.0 115.031 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -137.91 16.95 2.85 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.33 135.84 48.49 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.097 -1.627 . . . . 0.0 110.799 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.72 158.04 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.106 0.955 . . . . 0.0 113.05 -170.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -71.5 10.46 0.63 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.32 18.33 1.72 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.667 1.587 . . . . 0.0 113.06 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 45.7 p -109.71 159.75 16.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.9 1.28 . . . . 0.0 111.599 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.22 -43.34 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.339 1.056 . . . . 0.0 112.174 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -66.33 -47.41 73.57 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.167 0.987 . . . . 0.0 111.988 -171.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.59 -43.38 84.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 111.781 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.43 61.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.98 -31.69 72.07 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.692 -1.255 . . . . 0.0 112.888 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.19 -33.69 70.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.215 -0.928 . . . . 0.0 112.697 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.53 -37.98 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.512 0.725 . . . . 0.0 110.452 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -60.69 -44.32 96.67 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.66 0.664 . . . . 0.0 111.701 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.55 -45.33 94.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.752 0.821 . . . . 0.0 112.508 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -60.26 -31.74 70.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.236 1.015 . . . . 0.0 113.191 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -87.68 -66.0 0.96 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.003 1.321 . . . . 0.0 111.57 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -71.17 -49.74 40.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.638 0.775 . . . . 0.0 112.255 -169.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.464 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -77.51 -12.37 84.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.692 -0.63 . . . . 0.0 113.283 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.04 82.11 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 169.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.45 72.46 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.104 0.952 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.464 HG23 ' HA2' ' B' ' 140' ' ' GLY . 60.8 t -63.55 -34.96 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.054 0.942 . . . . 0.0 112.164 -174.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 76.7 mt -73.69 -38.78 64.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.534 0.733 . . . . 0.0 111.283 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -68.18 -43.67 77.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.753 1.221 . . . . 0.0 113.422 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -66.71 -34.5 77.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.211 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.11 -25.73 20.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.915 0.886 . . . . 0.0 112.937 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -57.15 -29.19 63.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.891 1.276 . . . . 0.0 111.984 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.22 -29.07 65.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.839 1.256 . . . . 0.0 113.18 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.04 -21.24 59.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.742 1.217 . . . . 0.0 112.812 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.29 -40.62 12.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.741 1.217 . . . . 0.0 111.995 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.03 -33.83 76.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -27.12 69.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -101.38 -13.45 17.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.05 1.34 . . . . 0.0 114.227 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.08 -11.55 75.95 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.889 1.233 . . . . 0.0 113.053 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 16.9 t -74.28 151.89 39.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.199 1.4 . . . . 0.0 112.642 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -157.07 177.68 33.83 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.111 1.339 . . . . 0.0 114.079 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.23 168.68 24.23 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.354 3.369 . . . . 0.0 112.293 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 91.8 p -159.28 173.89 15.62 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.705 1.602 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 22.9 t -153.89 131.43 11.39 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.749 -1.219 . . . . 0.0 111.336 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 125.551 1.548 . . . . 0.0 112.717 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.919 -0.03 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.32 28.84 0.09 OUTLIER Glycine 0 CA--C 1.535 1.288 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.5 ptt85 -74.49 178.15 5.5 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.597 1.159 . . . . 0.0 113.199 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 159.19 53.73 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.024 0.821 . . . . 0.0 112.755 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.444 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.11 88.75 0.07 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 125.432 1.492 . . . . 0.0 113.303 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.97 129.29 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.566 1.079 . . . . 0.0 111.563 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.85 142.45 28.88 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.219 1.008 . . . . 0.0 112.096 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.23 175.42 52.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.883 1.23 . . . . 0.0 113.705 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.873 1.669 . . . . 0.0 111.815 -174.142 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.0 m -148.06 -51.72 0.18 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.629 1.172 . . . . 0.0 112.345 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 m 65.65 16.2 10.39 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.733 1.613 . . . . 0.0 114.627 171.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.88 -123.13 2.13 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.911 1.72 . . . . 0.0 112.182 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -69.67 -12.7 61.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -90.42 94.0 9.55 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.536 1.535 . . . . 0.0 111.763 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.32 -38.14 4.36 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.734 1.159 . . . . 0.0 113.323 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.4 -37.99 73.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.612 1.165 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -72.81 -16.73 61.61 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.114 0.966 . . . . 0.0 113.491 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -76.85 -31.55 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.643 1.177 . . . . 0.0 110.76 171.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.92 -48.33 80.9 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.81 -46.53 71.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.103 0.561 . . . . 0.0 111.8 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -63.25 -35.04 79.01 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.58 -38.94 62.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.591 0.757 . . . . 0.0 112.276 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -65.88 -46.93 76.56 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.027 1.331 . . . . 0.0 111.242 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.64 -40.68 79.79 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.702 0.801 . . . . 0.0 112.574 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.68 -25.46 65.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.217 0.607 . . . . 0.0 112.614 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -78.05 -33.06 51.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.387 0.994 . . . . 0.0 111.84 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.08 -33.69 74.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.77 1.168 . . . . 0.0 111.497 169.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.54 -19.66 62.88 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -82.17 -19.28 40.22 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.044 0.838 . . . . 0.0 113.03 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -78.91 -16.18 57.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -97.59 80.45 2.83 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.551 1.14 . . . . 0.0 110.52 172.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 62.7 p -84.38 -5.81 59.32 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.853 1.261 . . . . 0.0 114.23 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.04 -12.55 60.1 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.952 1.739 . . . . 0.0 113.976 170.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 60.99 27.51 17.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.345 1.858 . . . . 0.0 113.108 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -77.24 -29.97 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.755 1.622 . . . . 0.0 112.032 -173.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -117.15 -13.86 10.52 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.049 1.74 . . . . 0.0 112.817 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -58.36 -23.05 55.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.569 1.548 . . . . 0.0 113.929 170.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -132.59 155.81 80.8 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 126.076 1.75 . . . . 0.0 111.608 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.81 151.41 78.59 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.464 3.442 . . . . 0.0 111.551 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.78 126.01 87.66 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.89 0.876 . . . . 0.0 109.866 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 117.2 4.91 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.39 2.727 . . . . 0.0 111.054 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.59 -23.9 63.6 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -61.02 -18.08 55.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.068 1.347 . . . . 0.0 113.954 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.93 8.52 9.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.115 1.366 . . . . 0.0 113.584 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.93 81.69 8.2 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.115 1.766 . . . . 0.0 109.25 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.2 -7.26 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.208 2.605 . . . . 0.0 113.079 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -108.75 12.88 25.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.805 1.642 . . . . 0.0 113.126 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -56.11 -45.08 79.62 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.871 -1.143 . . . . 0.0 112.256 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.86 -19.1 41.67 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.733 1.213 . . . . 0.0 113.265 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.43 -23.37 53.94 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.348 1.059 . . . . 0.0 112.344 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -98.57 -40.2 8.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.037 0.935 . . . . 0.0 113.413 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.412 HD13 ' HE3' ' B' ' 121' ' ' LYS . 30.9 mm -105.51 114.78 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.754 1.161 . . . . 0.0 111.071 -175.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -78.79 -27.23 44.45 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -137.92 77.19 38.45 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.436 1.494 . . . . 0.0 110.335 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.56 153.35 30.41 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.152 3.234 . . . . 0.0 112.329 -172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttm -166.0 165.2 18.14 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.005 1.722 . . . . 0.0 112.198 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -164.98 168.03 17.88 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.367 2.667 . . . . 0.0 110.215 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.06 -29.86 70.78 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -72.41 -38.45 68.4 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.251 0.932 . . . . 0.0 111.016 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 41.3 m -59.98 -46.36 89.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 76.6 mtp -58.95 -46.64 87.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.058 0.845 . . . . 0.0 112.013 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.38 -42.29 86.72 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.679 0.792 . . . . 0.0 112.958 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.78 -44.01 94.63 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.76 0.824 . . . . 0.0 111.895 176.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.43 -35.75 78.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.304 0.642 . . . . 0.0 112.183 172.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.36 -42.95 61.61 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.585 -1.322 . . . . 0.0 112.136 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.33 -10.96 60.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.953 0.901 . . . . 0.0 113.285 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.61 8.51 41.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.092 1.757 . . . . 0.0 112.947 171.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 62.58 24.85 14.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.074 1.749 . . . . 0.0 113.778 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -67.91 -24.66 65.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.303 1.041 . . . . 0.0 112.98 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -90.89 106.94 18.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 111.845 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.38 -8.35 19.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.446 1.499 . . . . 0.0 112.865 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -143.42 141.37 30.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.678 1.991 . . . . 0.0 109.803 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -66.57 -26.36 67.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 122.889 0.476 . . . . 0.0 111.759 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.04 -45.75 79.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.67 -33.22 62.44 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.07 0.948 . . . . 0.0 112.274 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.3 -38.19 81.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.645 1.178 . . . . 0.0 111.927 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.45 -41.77 69.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.755 1.222 . . . . 0.0 111.629 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.954 -1.091 . . . . 0.0 112.94 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.68 -26.6 60.81 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.547 -0.72 . . . . 0.0 112.654 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -70.1 -43.56 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 109.971 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -57.62 -34.62 69.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.182 0.593 . . . . 0.0 111.889 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.16 -45.09 94.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.046 0.839 . . . . 0.0 111.923 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 99.1 mt -59.28 -47.25 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.897 0.879 . . . . 0.0 110.947 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.77 -52.99 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.168 0.987 . . . . 0.0 110.588 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 71.9 m -62.0 -34.79 76.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.87 -19.52 65.75 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.163 -0.96 . . . . 0.0 113.244 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.57 -56.37 4.59 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.61 -26.05 63.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.158 1.783 . . . . 0.0 113.624 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.412 ' HE3' HD13 ' B' ' 84' ' ' ILE . 7.9 ttpp -85.3 -11.79 53.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -142.97 60.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.522 1.929 . . . . 0.0 112.491 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -156.19 -173.36 4.47 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.917 1.287 . . . . 0.0 112.632 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.69 152.95 41.5 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.081 1.352 . . . . 0.0 110.376 170.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -74.08 8.98 1.76 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -169.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -120.62 -4.74 9.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.797 1.639 . . . . 0.0 113.677 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 31.1 p -84.9 161.26 19.92 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.089 0.956 . . . . 0.0 112.309 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.6 tt -60.98 -40.95 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.639 0.776 . . . . 0.0 111.551 169.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.444 ' HB3' HH32 ' A' ' 5' ' ' ALY . 35.6 m-85 -68.68 -35.06 76.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.778 1.231 . . . . 0.0 112.493 -173.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -60.15 -52.95 63.16 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.787 0.835 . . . . 0.0 111.308 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -67.69 -30.45 69.98 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.7 89.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.223 0.92 . . . . 0.0 112.472 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.75 78.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.435 0.694 . . . . 0.0 112.449 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.89 -43.18 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -67.69 -32.01 72.37 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.683 0.793 . . . . 0.0 112.691 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.21 -44.04 80.57 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.738 . . . . 0.0 111.475 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -60.35 -28.27 68.03 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -83.82 -69.36 0.64 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.999 1.319 . . . . 0.0 111.539 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.83 -41.55 71.36 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.558 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -80.79 -18.61 69.84 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-N 118.779 0.718 . . . . 0.0 112.872 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.22 -34.45 89.96 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 117.977 0.889 . . . . 0.0 111.03 170.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.22 95.17 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.783 0.792 . . . . 0.0 112.176 169.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.558 HG23 ' HA2' ' B' ' 140' ' ' GLY . 18.6 t -60.61 -38.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.78 0.832 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.09 -35.19 69.14 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.811 -0.556 . . . . 0.0 111.705 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -44.79 73.72 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 112.801 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -67.96 -23.95 65.11 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.46 1.104 . . . . 0.0 113.094 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.86 -30.75 12.96 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.768 0.827 . . . . 0.0 112.634 -173.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.65 -42.91 89.43 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.724 1.21 . . . . 0.0 112.237 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -58.05 -22.03 48.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -75.93 -20.93 57.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.47 1.108 . . . . 0.0 112.441 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.71 -43.07 10.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.226 1.41 . . . . 0.0 111.74 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.42 -28.63 69.39 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -22.04 66.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -112.62 -13.68 13.26 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.892 1.677 . . . . 0.0 114.212 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -87.95 -5.83 76.68 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.42 1.486 . . . . 0.0 114.061 171.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 64.0 p -73.75 160.62 31.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.429 1.491 . . . . 0.0 113.849 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 159.01 -177.18 35.69 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.581 1.562 . . . . 0.0 113.173 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.88 120.63 6.76 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.609 2.872 . . . . 0.0 110.194 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 87.1 p -169.18 169.29 9.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.468 1.507 . . . . 0.0 112.122 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 34.9 m -67.66 138.79 56.62 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.958 -1.088 . . . . 0.0 112.756 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.294 0 C-N-CA 124.99 1.281 . . . . 0.0 113.752 177.822 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.792 0.329 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.81 14.16 65.6 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 124.509 1.052 . . . . 0.0 115.366 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -87.89 13.01 11.69 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.625 1.57 . . . . 0.0 113.807 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -172.83 52.41 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 124.786 1.184 . . . . 0.0 111.613 -169.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.734 HH33 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.54 161.21 30.78 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 126.773 2.13 . . . . 0.0 111.509 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 111.56 3.29 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.814 0.721 . . . . 0.0 111.753 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -79.43 161.42 26.13 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.756 1.222 . . . . 0.0 112.325 175.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.58 156.92 53.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.494 1.045 . . . . 0.0 112.867 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.255 1.367 0 C-N-CA 125.15 1.38 . . . . 0.0 112.881 -176.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.422 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -149.29 24.56 0.91 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.228 1.011 . . . . 0.0 112.511 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -69.18 140.31 54.63 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.41 -1.431 . . . . 0.0 112.444 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.19 167.36 41.43 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.297 0.951 . . . . 0.0 113.228 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.3 m -69.07 162.98 25.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.311 1.044 . . . . 0.0 112.539 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 21.2 t -154.82 156.41 36.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.402 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.64 -32.45 83.47 Favored Glycine 0 N--CA 1.47 0.94 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.874 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.69 -40.71 92.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.755 1.222 . . . . 0.0 112.498 170.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.46 -30.97 69.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.194 0.998 . . . . 0.0 111.786 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.3 -32.98 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.02 0.928 . . . . 0.0 111.533 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.05 -39.9 96.12 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.668 1.122 . . . . 0.0 110.888 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.05 -44.35 72.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.917 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.61 -31.28 72.23 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.409 0.549 . . . . 0.0 112.359 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -70.1 -37.49 75.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.517 1.127 . . . . 0.0 112.526 172.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.9 m -79.75 -44.38 20.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.532 1.533 . . . . 0.0 111.677 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.81 -39.43 77.55 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.77 0.828 . . . . 0.0 112.477 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.99 -12.85 60.43 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.89 -27.66 23.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.345 1.058 . . . . 0.0 111.911 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -30.43 69.6 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.886 1.221 . . . . 0.0 111.6 169.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -70.46 -20.37 62.89 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.69 -15.2 61.7 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.921 0.782 . . . . 0.0 112.595 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -90.81 6.75 43.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.494 1.518 . . . . 0.0 113.266 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -133.71 75.27 1.59 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.702 1.601 . . . . 0.0 110.853 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 75.8 p -81.38 -7.82 59.64 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.817 1.647 . . . . 0.0 114.238 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.57 -11.04 62.77 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.981 1.753 . . . . 0.0 114.348 169.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 56.82 33.67 23.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.128 1.771 . . . . 0.0 113.323 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 53.7 mt -77.0 -26.07 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.494 1.518 . . . . 0.0 111.736 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.89 -12.99 9.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.348 1.859 . . . . 0.0 112.877 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.3 m -53.43 -27.97 27.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.78 1.632 . . . . 0.0 113.807 169.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -138.25 158.85 70.12 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.622 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.79 153.7 77.02 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 124.445 3.43 . . . . 0.0 111.951 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -62.24 127.24 89.34 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 123.938 0.895 . . . . 0.0 110.019 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.34 114.4 3.62 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.389 2.726 . . . . 0.0 110.867 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.9 -25.67 64.72 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.146 0.578 . . . . 0.0 112.28 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -61.14 -17.94 55.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.285 1.434 . . . . 0.0 113.933 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -123.61 6.0 8.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.151 1.381 . . . . 0.0 113.679 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 t -148.84 76.24 9.74 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.006 1.722 . . . . 0.0 109.664 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.58 -11.24 20.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.084 2.523 . . . . 0.0 113.445 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -103.5 7.43 37.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.331 1.452 . . . . 0.0 113.072 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -57.49 -49.01 77.68 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.036 -1.04 . . . . 0.0 112.107 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.41 -18.66 60.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.833 1.253 . . . . 0.0 113.231 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.06 -16.1 59.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.309 1.043 . . . . 0.0 112.774 173.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.32 -32.07 6.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.983 1.313 . . . . 0.0 113.572 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 mm -99.74 110.8 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.911 1.284 . . . . 0.0 110.081 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -30.57 48.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 0.0 113.12 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -132.51 70.52 79.54 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.022 1.729 . . . . 0.0 111.939 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.57 144.26 39.75 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.259 2.64 . . . . 0.0 111.609 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.402 ' HG3' HD23 ' B' ' 114' ' ' LEU . 69.9 mmm -152.05 168.16 26.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.76 2.024 . . . . 0.0 111.728 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -166.77 164.74 16.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.269 2.228 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.25 -27.43 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.86 -41.44 82.9 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.059 0.845 . . . . 0.0 111.365 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -64.94 -42.61 94.51 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.237 1.015 . . . . 0.0 110.919 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.5 mmm -57.36 -49.27 76.7 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.129 0.422 . . . . 0.0 110.788 173.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.43 -44.4 89.11 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.522 -0.736 . . . . 0.0 112.81 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.75 -43.03 90.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.102 0.961 . . . . 0.0 112.215 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.85 -35.76 77.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.778 0.831 . . . . 0.0 111.8 172.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.37 -42.01 62.71 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.76 -1.213 . . . . 0.0 111.84 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.53 -19.17 63.37 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.604 1.161 . . . . 0.0 112.815 172.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.33 6.55 40.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.325 1.85 . . . . 0.0 113.25 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 62.78 26.87 15.82 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.938 1.695 . . . . 0.0 113.835 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -66.86 -25.78 66.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.996 0.918 . . . . 0.0 112.853 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -89.88 109.61 20.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.681 1.193 . . . . 0.0 111.411 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.09 -10.62 16.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.147 1.379 . . . . 0.0 113.154 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -145.53 148.13 32.87 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.402 1.881 . . . . 0.0 109.852 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -66.48 -28.32 68.48 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.029 0.531 . . . . 0.0 112.087 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.45 -44.06 93.03 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.924 1.289 . . . . 0.0 112.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -72.2 -35.19 68.87 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.947 0.794 . . . . 0.0 112.241 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -67.12 -37.04 83.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.397 1.079 . . . . 0.0 111.759 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.67 -37.72 65.18 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 111.95 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.2 -34.68 71.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.782 -1.199 . . . . 0.0 113.557 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -69.44 -29.18 66.83 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.543 -0.723 . . . . 0.0 112.14 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -66.34 -44.46 83.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.303 -0.873 . . . . 0.0 111.185 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -59.07 -36.5 75.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.691 -0.631 . . . . 0.0 111.994 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' B' ' 88' ' ' MET . 4.2 tp -63.58 -44.01 95.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.038 0.935 . . . . 0.0 111.613 174.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.02 -44.68 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.268 1.027 . . . . 0.0 111.643 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 66.0 t -57.75 -51.98 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.596 0.758 . . . . 0.0 110.651 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 t -59.84 -36.49 76.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.099 0.96 . . . . 0.0 113.365 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.57 -21.59 66.14 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.933 -1.104 . . . . 0.0 113.7 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.33 -52.52 9.04 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.723 0.692 . . . . 0.0 110.278 170.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.97 -24.75 67.2 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.102 1.361 . . . . 0.0 112.895 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -79.64 -18.3 51.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.715 . . . . 0.0 113.887 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -146.11 83.08 1.62 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.671 1.188 . . . . 0.0 112.802 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -169.71 -179.91 3.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.402 2.281 . . . . 0.0 111.092 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.63 154.98 18.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.59 1.156 . . . . 0.0 111.04 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -70.13 2.46 3.64 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 -169.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -138.61 14.0 2.74 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.969 1.308 . . . . 0.0 114.216 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 70.3 p -87.01 161.38 18.22 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.19 -0.944 . . . . 0.0 113.315 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 13.8 tt -59.52 -35.84 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.168 0.987 . . . . 0.0 111.216 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.734 ' HB3' HH33 ' A' ' 5' ' ' ALY . 21.3 m-85 -72.92 -36.8 67.32 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 125.129 1.372 . . . . 0.0 112.966 -174.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.74 -51.11 71.18 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.236 0.541 . . . . 0.0 109.674 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.03 -31.68 73.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.26 1.024 . . . . 0.0 112.961 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.34 94.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.494 1.043 . . . . 0.0 112.215 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.63 75.04 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.484 0.713 . . . . 0.0 112.079 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.3 -39.61 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.141 0.576 . . . . 0.0 111.018 171.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -65.76 -39.48 91.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.734 0.813 . . . . 0.0 112.109 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.68 -49.22 77.22 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.86 0.754 . . . . 0.0 111.542 170.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.9 -30.32 67.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.082 0.953 . . . . 0.0 113.484 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.07 -66.87 0.88 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.962 1.305 . . . . 0.0 111.826 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -76.29 -28.79 57.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -89.96 -17.36 54.07 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 119.158 0.89 . . . . 0.0 112.581 169.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.4 -35.93 92.39 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-N 118.349 1.075 . . . . 0.0 110.627 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.0 93.69 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.099 0.96 . . . . 0.0 112.419 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.534 HG23 ' HA2' ' B' ' 140' ' ' GLY . 25.9 t -63.2 -37.81 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.667 1.187 . . . . 0.0 110.998 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.22 -33.12 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.982 0.913 . . . . 0.0 111.573 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -67.96 -52.88 30.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.401 1.08 . . . . 0.0 112.827 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -60.5 -33.68 72.97 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.11 0.964 . . . . 0.0 112.513 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.46 -25.41 23.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 0.0 113.001 -169.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -59.73 -32.53 70.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.503 1.121 . . . . 0.0 111.955 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.34 -30.01 69.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.301 1.04 . . . . 0.0 113.208 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.5 -19.89 60.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.857 1.263 . . . . 0.0 112.614 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.11 -43.6 10.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 111.933 170.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.85 -30.04 71.02 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.853 0.861 . . . . 0.0 113.309 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -23.65 67.14 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -111.28 -14.49 13.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.434 1.494 . . . . 0.0 114.209 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.07 -7.15 70.64 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.268 1.414 . . . . 0.0 113.758 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 5.8 t 75.0 145.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.714 2.805 . . . . 0.0 113.312 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -164.37 -176.03 35.76 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.866 1.222 . . . . 0.0 114.352 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.03 163.98 34.22 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 124.32 3.347 . . . . 0.0 112.159 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 75.6 m -143.7 140.82 30.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.061 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 21.4 t -163.82 145.51 9.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.157 1.383 . . . . 0.0 110.997 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 C-N-CA 125.07 1.319 . . . . 0.0 113.041 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.857 0.361 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.17 -57.33 0.23 Allowed Glycine 0 N--CA 1.474 1.186 0 C-N-CA 124.281 0.943 . . . . 0.0 113.74 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 58.76 51.35 7.69 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.873 1.669 . . . . 0.0 112.604 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.68 173.29 48.92 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 125.129 1.347 . . . . 0.0 113.657 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.98 165.53 36.18 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.281 1.896 . . . . 0.0 113.33 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.99 -156.87 28.37 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.009 1.29 . . . . 0.0 113.056 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt 59.1 53.36 5.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.634 1.573 . . . . 0.0 113.131 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.03 -5.6 80.75 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.129 1.347 . . . . 0.0 115.063 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.274 1.829 . . . . 0.0 111.641 175.543 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 16.0 t -80.36 -43.46 21.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.905 0.853 . . . . 0.0 112.503 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.7 m 66.11 172.74 0.23 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.91 2.084 . . . . 0.0 115.089 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -142.15 12.15 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.366 1.46 . . . . 0.0 111.831 171.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 148.84 43.03 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.292 1.037 . . . . 0.0 112.593 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.9 p -133.31 96.74 3.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.467 1.107 . . . . 0.0 112.29 -171.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.44 -35.73 4.85 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 124.778 1.18 . . . . 0.0 113.24 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.0 -38.04 75.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 112.514 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.03 -15.53 61.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.545 1.138 . . . . 0.0 113.531 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 68.6 mt -78.9 -31.22 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.716 1.206 . . . . 0.0 110.696 170.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.93 -46.69 86.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.406 -0.809 . . . . 0.0 110.42 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.71 -45.8 74.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.723 0.409 . . . . 0.0 111.633 -172.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -64.15 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.394 0.543 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.2 -22.19 42.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.584 1.154 . . . . 0.0 113.091 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.1 m -82.39 -44.84 15.62 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.822 1.249 . . . . 0.0 111.077 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.53 -37.96 68.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 113.42 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.46 -21.22 59.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -80.26 -26.51 38.96 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.311 -0.868 . . . . 0.0 111.94 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -28.22 69.36 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.224 0.92 . . . . 0.0 111.9 170.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.89 -22.5 59.7 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.73 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -8.38 54.83 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.469 0.708 . . . . 0.0 112.446 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -102.18 2.64 37.52 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.132 1.773 . . . . 0.0 112.686 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -118.9 78.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.907 2.083 . . . . 0.0 109.222 170.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.7 p -82.13 -7.57 59.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.138 1.375 . . . . 0.0 114.111 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.26 65.31 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.015 1.769 . . . . 0.0 113.808 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 61.97 25.91 15.6 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.513 1.925 . . . . 0.0 112.995 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.55 -35.84 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.781 1.632 . . . . 0.0 112.262 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -110.38 -19.35 12.99 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.319 1.448 . . . . 0.0 112.275 -175.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -58.98 -19.91 47.82 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.511 1.124 . . . . 0.0 113.784 172.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -127.85 151.54 75.79 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 125.619 1.567 . . . . 0.0 111.954 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.28 148.68 68.71 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.955 3.77 . . . . 0.0 112.53 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.96 124.95 88.08 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.858 0.863 . . . . 0.0 110.15 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.16 119.64 6.13 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.499 2.799 . . . . 0.0 111.16 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.36 -22.03 61.95 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.6 p -62.01 -19.62 63.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.969 1.308 . . . . 0.0 114.046 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -121.22 7.84 10.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.26 1.424 . . . . 0.0 113.383 170.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 32.6 t -146.07 80.29 10.39 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.04 1.736 . . . . 0.0 109.592 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.68 -9.24 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.115 2.544 . . . . 0.0 113.085 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -110.0 11.85 23.86 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.613 1.565 . . . . 0.0 113.227 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.37 -41.47 65.89 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.041 -1.037 . . . . 0.0 111.686 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.55 -18.91 50.74 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.138 1.775 . . . . 0.0 113.091 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.44 -33.98 23.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.57 1.148 . . . . 0.0 112.103 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -87.28 -29.17 21.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -116.94 121.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.159 0.984 . . . . 0.0 110.987 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -74.63 -31.03 61.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.023 1.329 . . . . 0.0 113.295 -177.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.51 71.4 71.42 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.227 1.811 . . . . 0.0 110.931 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.39 131.34 18.79 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.646 2.898 . . . . 0.0 110.351 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 14.1 ttt -160.28 154.82 23.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.664 1.185 . . . . 0.0 111.877 -170.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.45 172.72 14.0 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.013 2.125 . . . . 0.0 111.012 -174.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -57.02 -30.98 64.66 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -68.75 -38.46 80.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.552 0.615 . . . . 0.0 111.646 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -65.61 -38.66 90.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.088 0.955 . . . . 0.0 111.208 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 25.9 mmm -59.01 -52.19 66.82 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.612 0.642 . . . . 0.0 110.909 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -57.45 -44.61 84.9 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.86 -45.28 94.47 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.073 0.949 . . . . 0.0 111.972 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -62.84 -34.61 77.7 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -72.83 -42.6 63.62 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.528 -0.732 . . . . 0.0 111.807 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.21 -13.14 62.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.806 0.842 . . . . 0.0 113.002 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.5 3.08 48.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.119 1.767 . . . . 0.0 112.961 170.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 63.94 25.21 13.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.845 2.058 . . . . 0.0 113.936 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -74.59 -14.04 60.73 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -90.93 104.33 16.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.83 1.252 . . . . 0.0 111.005 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.17 -10.05 20.77 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.954 1.302 . . . . 0.0 113.005 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -145.04 146.14 31.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.622 1.969 . . . . 0.0 109.46 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.76 -25.74 66.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.522 0.329 . . . . 0.0 111.817 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.45 -48.58 71.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.291 1.436 . . . . 0.0 112.374 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.06 -33.79 65.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.521 0.728 . . . . 0.0 112.505 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.05 -37.64 84.42 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.599 0.759 . . . . 0.0 111.728 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.97 -43.23 62.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.598 1.159 . . . . 0.0 111.479 173.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.07 -35.4 80.43 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.109 -0.994 . . . . 0.0 112.98 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.5 -21.08 61.26 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.575 -0.703 . . . . 0.0 112.63 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -76.34 -42.4 45.0 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.22 -0.925 . . . . 0.0 109.734 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -59.8 -32.29 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.59 -0.693 . . . . 0.0 112.408 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.1 -47.31 85.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.405 1.082 . . . . 0.0 111.125 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.87 -44.45 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.152 0.981 . . . . 0.0 111.204 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.75 -52.96 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.836 0.854 . . . . 0.0 110.606 174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 21.5 t -60.93 -37.53 82.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.349 1.059 . . . . 0.0 112.804 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.08 -27.52 69.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.3 t -73.9 -49.66 23.8 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.41 -0.806 . . . . 0.0 111.219 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 55.3 mt -64.36 -26.48 68.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.537 1.135 . . . . 0.0 112.519 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.53 -19.27 49.96 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.718 1.607 . . . . 0.0 114.025 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -139.25 62.31 1.53 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.858 1.263 . . . . 0.0 112.737 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.16 163.45 20.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.118 1.367 . . . . 0.0 111.898 172.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.3 165.38 24.95 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.958 0.885 . . . . 0.0 112.29 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -73.93 -1.04 18.01 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -150.18 19.12 0.86 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -169.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 35.7 p -89.84 163.2 15.12 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.225 1.41 . . . . 0.0 113.196 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 tt -56.24 -45.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.61 1.164 . . . . 0.0 111.778 170.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -67.19 -45.03 78.14 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.22 1.008 . . . . 0.0 112.024 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -58.27 -47.07 84.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.837 0.855 . . . . 0.0 111.221 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -73.89 -30.51 62.65 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.538 0.735 . . . . 0.0 112.531 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.14 74.17 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.924 -1.11 . . . . 0.0 112.613 171.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.12 -36.22 74.65 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.505 -0.747 . . . . 0.0 112.581 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.59 -40.63 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 170.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -60.16 -42.79 95.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.874 0.87 . . . . 0.0 111.714 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.9 -47.66 84.87 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.083 0.953 . . . . 0.0 112.299 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -59.05 -33.56 70.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.7 0.8 . . . . 0.0 113.125 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.45 -65.94 0.95 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.981 1.312 . . . . 0.0 111.332 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.45 -36.34 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -87.75 -18.1 57.06 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.236 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.51 89.42 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.387 1.094 . . . . 0.0 110.951 169.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.77 99.36 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.7 0.8 . . . . 0.0 112.054 169.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.563 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.4 t -62.87 -39.28 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.36 1.064 . . . . 0.0 111.3 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 65.5 mt -70.72 -37.26 73.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.328 0.651 . . . . 0.0 111.273 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.33 -47.02 68.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.527 1.131 . . . . 0.0 112.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.17 -33.32 75.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.931 0.892 . . . . 0.0 112.536 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.99 -29.73 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.872 1.269 . . . . 0.0 112.87 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.42 -30.95 61.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.415 1.486 . . . . 0.0 112.613 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -59.71 -28.67 67.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -74.77 -17.06 60.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.367 1.067 . . . . 0.0 112.84 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.47 -40.38 10.87 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.733 1.213 . . . . 0.0 112.083 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.33 -26.1 62.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.91 67.42 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.932 -1.105 . . . . 0.0 113.783 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -105.35 -10.43 17.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.692 1.597 . . . . 0.0 114.32 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.61 -1.49 66.0 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.741 1.639 . . . . 0.0 114.266 170.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 17.2 t -68.27 136.34 53.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.906 1.283 . . . . 0.0 113.132 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -106.5 -167.96 22.76 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.713 1.625 . . . . 0.0 113.836 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.45 174.93 11.94 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.346 3.364 . . . . 0.0 111.704 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 22.7 m 70.05 16.96 7.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.795 1.638 . . . . 0.0 114.157 172.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.9 m -76.75 7.0 5.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.716 1.607 . . . . 0.0 115.026 -175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.155 0 C-N-CA 125.512 1.529 . . . . 0.0 112.965 177.489 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.43 163.25 28.45 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.815 1.198 . . . . 0.0 113.523 -176.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -161.67 128.07 3.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.32 1.448 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.59 Favored Glycine 0 N--CA 1.476 1.308 0 C-N-CA 124.942 1.258 . . . . 0.0 115.112 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.665 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.05 154.62 24.74 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 125.418 1.485 . . . . 0.0 114.012 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.26 179.09 16.28 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.333 1.921 . . . . 0.0 113.003 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tttp 68.77 3.14 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.55 1.94 . . . . 0.0 115.251 172.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.24 -42.16 8.13 Favored Glycine 0 CA--C 1.535 1.295 0 O-C-N 120.869 -1.145 . . . . 0.0 113.949 -177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.549 2.34 . . . . 0.0 113.326 -177.43 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.367 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.6 m -130.14 0.6 4.68 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -169.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -149.54 137.92 20.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.327 1.451 . . . . 0.0 111.155 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.67 -11.8 44.37 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.106 1.336 . . . . 0.0 115.681 175.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m 60.53 112.29 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.982 2.913 . . . . 0.0 115.339 175.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -89.34 91.54 8.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.039 1.336 . . . . 0.0 112.01 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.31 -38.46 5.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.501 1.048 . . . . 0.0 113.213 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -58.12 -37.48 74.67 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.496 1.119 . . . . 0.0 112.481 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.55 -16.44 61.26 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.43 1.092 . . . . 0.0 113.603 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.69 -31.99 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.526 1.13 . . . . 0.0 110.656 170.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.23 -48.65 79.03 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.839 -0.538 . . . . 0.0 110.013 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.23 -45.89 75.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.865 0.466 . . . . 0.0 111.877 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -63.97 -33.12 75.0 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.57 -33.0 42.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.979 0.912 . . . . 0.0 112.776 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.7 m -72.6 -40.06 66.84 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.682 1.193 . . . . 0.0 111.451 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.34 -42.14 77.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.985 0.914 . . . . 0.0 112.554 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.89 -30.25 71.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.584 0.753 . . . . 0.0 112.497 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.13 -12.53 59.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.771 0.829 . . . . 0.0 112.324 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.51 -37.63 13.75 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.181 0.9 . . . . 0.0 109.119 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.5 -31.43 72.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.825 0.85 . . . . 0.0 112.72 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.7 -16.64 64.37 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -85.1 -20.07 30.9 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.228 1.011 . . . . 0.0 112.633 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -92.34 78.14 5.1 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.795 1.638 . . . . 0.0 110.298 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.2 t -82.57 -3.24 55.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.061 1.344 . . . . 0.0 113.797 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.71 -11.65 57.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.806 1.67 . . . . 0.0 113.516 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.08 26.09 15.41 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.598 1.959 . . . . 0.0 113.143 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.75 -35.48 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.186 1.394 . . . . 0.0 112.18 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -109.42 -20.5 12.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.33 1.452 . . . . 0.0 111.95 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -57.37 -22.84 45.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.896 1.278 . . . . 0.0 113.907 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -132.95 153.33 80.95 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.874 1.67 . . . . 0.0 111.67 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.94 148.94 77.23 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 124.707 3.605 . . . . 0.0 113.16 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.52 123.94 80.93 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 124.098 0.959 . . . . 0.0 109.631 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.05 123.82 8.64 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.19 2.593 . . . . 0.0 111.671 -172.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.62 -14.53 61.2 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.4 t -69.24 -32.54 71.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.79 0.836 . . . . 0.0 111.756 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -87.84 -32.18 19.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.856 0.862 . . . . 0.0 111.953 172.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.73 82.97 36.96 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.597 1.159 . . . . 0.0 111.289 -174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.17 -10.96 19.46 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.177 2.584 . . . . 0.0 113.178 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -102.1 7.0 41.21 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.667 1.587 . . . . 0.0 113.455 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -55.87 -36.73 67.92 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 112.746 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.56 -20.01 61.39 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.163 1.785 . . . . 0.0 113.419 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -88.41 -17.83 29.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.815 1.246 . . . . 0.0 112.846 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -96.59 -35.18 11.16 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 112.358 170.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.02 114.41 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.434 1.494 . . . . 0.0 109.759 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -86.66 -19.32 29.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -174.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -126.05 67.97 63.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.284 1.434 . . . . 0.0 110.067 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.25 136.0 25.86 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.972 3.114 . . . . 0.0 109.903 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 9.9 ttt -162.26 149.92 14.2 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -148.07 173.63 12.74 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.823 2.449 . . . . 0.0 110.103 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.99 -32.36 63.87 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.18 -37.59 85.83 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 112.01 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -67.2 -41.16 86.29 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 111.298 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 86.5 mtp -63.11 -46.43 87.36 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.672 0.669 . . . . 0.0 111.338 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.05 -47.32 78.11 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.66 -0.65 . . . . 0.0 112.363 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.38 -45.42 94.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.772 0.829 . . . . 0.0 111.72 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.26 -33.05 74.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.755 0.822 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.75 -43.59 46.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.762 -1.211 . . . . 0.0 111.423 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.43 -12.57 61.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.75 5.03 41.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.314 1.845 . . . . 0.0 113.243 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 63.32 25.88 14.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.007 1.723 . . . . 0.0 113.975 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -69.34 -22.33 63.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.983 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.13 105.17 17.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.862 1.265 . . . . 0.0 111.857 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.64 -4.46 25.13 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.254 1.422 . . . . 0.0 113.087 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -153.81 151.7 29.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.651 1.58 . . . . 0.0 110.265 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -68.98 -21.1 64.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.431 0.692 . . . . 0.0 112.26 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.97 -48.96 78.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.847 0.859 . . . . 0.0 112.117 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.59 -32.95 68.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.756 0.707 . . . . 0.0 112.524 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.6 -37.62 82.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.783 0.833 . . . . 0.0 111.762 175.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.27 -43.45 61.0 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.609 1.163 . . . . 0.0 111.479 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.53 -32.27 73.51 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.25 -0.906 . . . . 0.0 113.192 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.42 -28.87 63.24 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.632 -0.667 . . . . 0.0 112.626 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.3 -43.9 76.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.239 -0.913 . . . . 0.0 110.321 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -58.74 -36.19 73.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.92 0.488 . . . . 0.0 111.89 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.33 -44.89 96.43 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.148 0.885 . . . . 0.0 111.697 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.69 -45.44 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.797 0.839 . . . . 0.0 111.184 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.88 -55.0 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.818 0.847 . . . . 0.0 110.578 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -63.39 -35.84 81.73 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.37 -21.67 66.42 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.542 1.064 . . . . 0.0 113.173 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.0 t -77.51 -54.48 6.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.215 0.606 . . . . 0.0 110.237 169.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.87 -26.91 69.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.147 1.379 . . . . 0.0 113.386 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.97 -23.27 60.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.96 1.704 . . . . 0.0 114.194 173.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -147.13 81.09 1.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.979 1.712 . . . . 0.0 111.738 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -168.92 -179.6 3.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.102 2.161 . . . . 0.0 111.938 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -101.15 148.34 25.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.164 1.385 . . . . 0.0 110.723 172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.46 8.16 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -169.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -144.37 11.25 1.49 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 -169.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.5 p -93.37 164.6 13.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.034 0.934 . . . . 0.0 113.419 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.05 -41.67 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.467 1.107 . . . . 0.0 110.629 169.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.665 ' HB3' HH32 ' A' ' 5' ' ' ALY . 53.3 m-85 -69.92 -38.48 76.24 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.98 1.312 . . . . 0.0 112.319 -174.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.95 -54.37 45.84 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.839 0.856 . . . . 0.0 110.575 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -60.63 -34.04 73.67 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.48 87.51 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.42 1.009 . . . . 0.0 112.305 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.34 80.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.048 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.44 -44.99 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.216 0.606 . . . . 0.0 110.671 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -69.36 -35.61 76.02 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.73 -44.69 96.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.461 1.028 . . . . 0.0 111.889 170.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.12 0.968 . . . . 0.0 113.18 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.0 -65.71 0.98 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.932 1.293 . . . . 0.0 111.449 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.11 -49.08 73.61 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.678 0.791 . . . . 0.0 112.591 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -84.48 -10.08 80.38 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-O 119.614 -0.548 . . . . 0.0 113.64 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.5 92.11 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 118.272 1.036 . . . . 0.0 110.894 170.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.29 83.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.603 0.761 . . . . 0.0 112.006 169.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.456 HG23 ' HA2' ' B' ' 140' ' ' GLY . 51.7 t -63.02 -36.89 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.243 1.017 . . . . 0.0 111.977 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.13 -37.32 66.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.487 0.715 . . . . 0.0 111.571 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.69 -46.05 73.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.715 0.806 . . . . 0.0 112.652 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -66.12 -33.3 75.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.024 0.93 . . . . 0.0 112.281 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.7 -28.45 20.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.038 0.935 . . . . 0.0 112.667 -169.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.32 -28.62 68.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.599 1.16 . . . . 0.0 112.415 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.82 -30.18 68.75 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.443 1.097 . . . . 0.0 113.096 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -72.6 -24.53 61.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.175 0.99 . . . . 0.0 112.501 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.01 -41.88 16.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.256 1.022 . . . . 0.0 112.049 170.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.86 -34.6 78.51 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -25.8 65.51 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -102.47 -20.42 14.53 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.994 1.318 . . . . 0.0 114.179 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -86.93 -7.29 78.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.099 1.333 . . . . 0.0 113.819 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 6.0 t 74.6 144.18 0.08 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.574 2.75 . . . . 0.0 113.635 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -173.91 -178.43 43.84 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.126 1.346 . . . . 0.0 113.787 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.57 141.16 37.56 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.914 3.076 . . . . 0.0 111.398 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 99.1 p -168.93 -173.91 1.94 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.009 1.724 . . . . 0.0 111.46 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 22.7 t -137.24 130.54 31.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.694 1.198 . . . . 0.0 110.621 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 C-N-CA 125.144 1.354 . . . . 0.0 112.749 -176.233 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.41 167.47 45.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.342 0.972 . . . . 0.0 113.409 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -156.5 136.12 12.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.237 1.415 . . . . 0.0 110.933 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.74 -164.76 40.3 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.074 1.321 . . . . 0.0 112.763 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.688 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.44 133.78 1.85 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 127.347 2.403 . . . . 0.0 112.267 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.22 73.56 0.68 Allowed Glycine 0 N--CA 1.469 0.858 0 C-N-CA 125.275 1.417 . . . . 0.0 111.407 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -153.6 152.2 30.61 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.892 1.277 . . . . 0.0 112.15 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.69 174.7 30.89 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.632 1.587 . . . . 0.0 112.299 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.5 tp . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.513 1.525 . . . . 0.0 112.091 -174.026 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.404 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 72.38 108.91 0.07 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.431 2.293 . . . . 0.0 112.449 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -164.14 151.28 11.85 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 112.452 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.71 -90.38 1.64 Allowed Glycine 0 N--CA 1.47 0.909 0 C-N-CA 125.795 1.664 . . . . 0.0 110.884 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -75.39 137.94 41.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.487 1.115 . . . . 0.0 111.846 172.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -149.1 31.92 0.76 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.888 1.275 . . . . 0.0 112.917 -169.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.43 -29.2 56.78 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.359 1.457 . . . . 0.0 114.523 -169.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.95 -38.04 78.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.377 1.089 . . . . 0.0 113.124 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.35 -17.35 59.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.344 1.058 . . . . 0.0 112.656 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.19 -28.5 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.591 1.156 . . . . 0.0 111.03 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.19 -56.3 17.84 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.41 -0.806 . . . . 0.0 109.762 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.26 -40.41 96.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.011 0.524 . . . . 0.0 112.371 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -64.85 -33.7 76.64 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -76.07 -34.98 59.58 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -64.17 -45.4 88.58 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.458 1.103 . . . . 0.0 111.286 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.65 -34.83 71.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.79 0.836 . . . . 0.0 113.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -71.91 -23.4 61.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.522 0.729 . . . . 0.0 112.557 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -83.24 -25.37 31.74 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.225 -0.922 . . . . 0.0 112.462 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.29 -27.88 68.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.738 1.154 . . . . 0.0 111.383 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -72.33 -21.92 61.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.588 0.755 . . . . 0.0 112.9 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -66.61 -20.73 66.07 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.798 0.726 . . . . 0.0 111.893 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -97.57 2.45 50.03 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.47 1.508 . . . . 0.0 114.035 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.91 85.15 2.22 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.09 1.756 . . . . 0.0 110.332 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.0 t -88.65 -3.84 58.69 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.986 1.314 . . . . 0.0 114.102 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.51 -12.91 66.28 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.147 1.356 . . . . 0.0 113.155 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 62.95 20.76 12.47 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.902 2.081 . . . . 0.0 113.779 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.87 -35.12 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.869 1.268 . . . . 0.0 111.893 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -108.41 -19.55 13.42 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.718 1.207 . . . . 0.0 112.005 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 38.4 m -54.57 -27.52 39.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.587 1.555 . . . . 0.0 114.282 172.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.78 153.64 81.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 125.86 1.664 . . . . 0.0 112.376 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.46 149.34 68.66 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 124.851 3.701 . . . . 0.0 113.164 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.93 126.16 91.3 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 124.132 0.973 . . . . 0.0 109.704 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.11 114.94 4.13 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.209 2.606 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.96 -23.23 64.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.008 0.523 . . . . 0.0 112.397 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.0 m -60.74 -18.31 53.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.127 1.371 . . . . 0.0 113.954 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.82 7.04 9.88 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.09 1.356 . . . . 0.0 113.742 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.7 t -148.65 80.61 8.18 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.75 -9.75 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.211 2.608 . . . . 0.0 113.28 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -104.44 6.2 34.75 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.323 1.449 . . . . 0.0 113.601 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -56.14 -40.89 74.51 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.4 mt -75.79 -19.82 58.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.156 1.383 . . . . 0.0 113.219 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.23 -22.13 36.03 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.561 1.144 . . . . 0.0 112.702 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -103.83 -24.14 13.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.2 122.48 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.707 1.203 . . . . 0.0 111.035 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.8 -33.55 58.0 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -138.63 72.87 42.28 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.98 1.312 . . . . 0.0 111.894 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.56 125.03 9.76 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 -172.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 49.8 mmm -135.69 170.57 15.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.337 1.855 . . . . 0.0 111.706 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.35 169.37 22.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.218 2.207 . . . . 0.0 110.521 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -54.8 -38.51 67.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.434 0.693 . . . . 0.0 112.838 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -71.17 -30.59 66.61 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 45.1 m -67.08 -45.49 77.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.441 0.696 . . . . 0.0 110.706 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 18.2 ptm -69.77 -29.97 67.43 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -61.61 -47.91 83.3 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.199 -0.938 . . . . 0.0 111.926 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -62.24 -45.95 91.04 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.124 0.969 . . . . 0.0 111.547 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.58 -28.79 68.79 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.1 -40.97 26.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.942 0.897 . . . . 0.0 111.755 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.63 -16.45 62.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.108 0.963 . . . . 0.0 113.053 172.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.13 -3.28 21.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.009 1.724 . . . . 0.0 113.931 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 69.15 50.9 0.54 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.265 2.226 . . . . 0.0 113.205 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -16.37 28.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -82.86 -71.38 0.5 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.89 1.223 . . . . 0.0 113.417 -172.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 66.26 -2.05 1.07 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.165 2.586 . . . . 0.0 115.235 174.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -147.07 138.45 24.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.135 2.174 . . . . 0.0 108.655 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.6 -28.0 67.38 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.42 -44.83 89.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.635 1.174 . . . . 0.0 112.379 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.16 -37.24 75.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.589 0.756 . . . . 0.0 112.051 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.15 -37.99 84.74 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.214 1.005 . . . . 0.0 112.11 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -77.03 -33.6 57.36 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.311 1.444 . . . . 0.0 112.209 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -68.32 -35.32 77.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 113.231 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.44 -40.42 93.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.408 0.683 . . . . 0.0 111.55 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.58 -44.27 94.53 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.472 -0.767 . . . . 0.0 111.64 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -57.49 -37.04 72.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.033 0.533 . . . . 0.0 112.115 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.269 1.428 . . . . 0.0 111.573 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.33 -40.42 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.217 1.007 . . . . 0.0 111.215 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.2 -58.81 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.588 0.755 . . . . 0.0 111.039 170.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 83.9 p -66.67 -32.05 73.12 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.67 -27.52 68.98 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.088 -1.008 . . . . 0.0 113.071 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -72.23 -53.14 13.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.658 0.663 . . . . 0.0 110.106 171.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.28 -21.82 62.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.774 1.63 . . . . 0.0 113.503 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -78.59 -50.12 12.07 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.223 1.409 . . . . 0.0 113.806 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -110.88 81.06 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.473 1.109 . . . . 0.0 111.587 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.75 -166.27 0.3 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.625 2.37 . . . . 0.0 110.701 -174.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.09 33.7 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.049 0.928 . . . . 0.0 111.393 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -76.76 12.98 1.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.192 2.197 . . . . 0.0 114.263 -169.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -138.11 16.64 2.81 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.241 1.816 . . . . 0.0 113.334 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.0 p -110.66 162.04 15.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.454 1.102 . . . . 0.0 112.996 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.2 tt -61.79 -42.42 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.426 1.091 . . . . 0.0 111.106 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.688 ' HB3' HH32 ' A' ' 5' ' ' ALY . 50.6 m-85 -69.32 -37.33 77.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.621 1.169 . . . . 0.0 112.33 -171.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.03 -54.75 43.21 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.566 1.147 . . . . 0.0 110.794 172.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.54 -31.65 72.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.759 0.824 . . . . 0.0 112.955 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.14 79.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.28 0.945 . . . . 0.0 112.765 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.79 71.32 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 112.306 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.45 -41.79 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.346 0.658 . . . . 0.0 110.571 170.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -64.23 -41.85 96.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.833 0.853 . . . . 0.0 112.215 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.19 -42.72 99.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.953 0.901 . . . . 0.0 112.63 173.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -57.59 -30.77 65.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.09 0.956 . . . . 0.0 113.021 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -86.81 -63.69 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.957 1.303 . . . . 0.0 111.429 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.66 -48.53 63.73 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -170.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -77.94 -12.25 84.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 121.732 -0.605 . . . . 0.0 112.665 175.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.25 -37.03 93.53 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 117.984 0.892 . . . . 0.0 112.035 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.436 HG23 ' HA2' ' B' ' 140' ' ' GLY . 60.6 t -61.12 -38.23 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.761 0.824 . . . . 0.0 111.468 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.07 -33.56 65.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.708 0.803 . . . . 0.0 111.653 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -69.0 -50.76 46.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.275 1.03 . . . . 0.0 113.249 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -63.04 -24.74 68.05 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.355 1.062 . . . . 0.0 112.869 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.02 -28.44 13.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.776 0.83 . . . . 0.0 112.764 -173.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -62.31 -35.94 80.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.506 1.122 . . . . 0.0 112.551 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -20.85 63.97 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.53 -21.78 57.66 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.701 1.2 . . . . 0.0 112.499 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -91.03 -41.58 11.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.918 1.287 . . . . 0.0 112.266 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -31.13 72.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.21 68.48 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 175.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 4.3 mtm -67.76 -21.85 65.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.181 0.992 . . . . 0.0 112.696 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.48 13.16 68.19 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.232 1.873 . . . . 0.0 114.978 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 75.3 m -141.19 145.42 35.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.926 1.29 . . . . 0.0 112.644 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -91.02 178.48 42.1 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.726 1.155 . . . . 0.0 113.128 172.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -70.73 156.22 61.24 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 123.905 3.07 . . . . 0.0 111.413 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 89.5 p -161.44 169.81 21.19 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.143 1.377 . . . . 0.0 112.173 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 78.5 p -159.02 161.03 36.55 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.703 1.201 . . . . 0.0 112.43 -174.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 C-N-CA 125.164 1.364 . . . . 0.0 112.898 -178.552 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.82 19.95 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-N 119.174 0.897 . . . . 0.0 113.048 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -149.28 135.55 19.16 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.639 1.976 . . . . 0.0 110.064 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.06 -9.29 56.09 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.961 1.267 . . . . 0.0 115.103 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.537 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.65 161.1 18.08 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 130.483 3.897 . . . . 0.0 111.404 169.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.99 171.02 48.78 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.188 0.899 . . . . 0.0 114.359 -171.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt 64.63 -140.5 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.887 1.675 . . . . 0.0 112.074 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.51 155.97 29.21 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.629 1.585 . . . . 0.0 112.555 -173.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.29 1.836 . . . . 0.0 111.657 -176.118 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.31 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -165.64 -166.55 0.97 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.552 1.941 . . . . 0.0 110.271 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -73.83 162.01 29.57 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.578 -1.326 . . . . 0.0 112.373 169.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.48 62.02 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.418 1.008 . . . . 0.0 114.955 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 55.5 m -63.59 152.39 38.94 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.49 1.145 . . . . 0.0 112.553 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.1 m -143.84 158.36 43.74 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.478 1.511 . . . . 0.0 111.248 -175.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.55 -35.36 88.96 Favored Glycine 0 N--CA 1.472 1.061 0 O-C-N 121.239 -0.913 . . . . 0.0 113.159 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -61.48 -42.88 99.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.582 1.153 . . . . 0.0 112.47 170.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.95 -31.56 72.22 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.146 0.978 . . . . 0.0 111.32 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.32 -32.58 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.962 0.905 . . . . 0.0 112.194 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.6 mt -54.94 -43.9 73.81 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.369 0.986 . . . . 0.0 110.213 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.24 -36.22 79.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.5 0.72 . . . . 0.0 111.478 -173.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -58.69 -51.24 70.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.466 0.706 . . . . 0.0 110.977 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.63 -30.77 69.56 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.498 0.719 . . . . 0.0 112.936 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -74.46 -48.05 29.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.719 1.208 . . . . 0.0 111.222 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.4 -39.69 84.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.943 0.792 . . . . 0.0 112.418 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.59 -25.77 65.05 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.24 -32.29 49.63 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 111.808 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.88 -31.73 72.04 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.679 1.127 . . . . 0.0 112.237 170.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.23 -23.23 61.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.49 -15.53 59.87 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.92 0.782 . . . . 0.0 112.63 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -87.54 -1.23 57.8 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.693 1.197 . . . . 0.0 113.805 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -119.14 80.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 109.894 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -83.38 -6.1 59.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.786 1.234 . . . . 0.0 113.93 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.95 -11.2 61.88 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.559 1.552 . . . . 0.0 113.807 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.09 31.36 19.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.201 1.8 . . . . 0.0 113.214 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.23 -29.96 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 111.597 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -115.42 -14.84 11.57 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.772 . . . . 0.0 112.373 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.9 m -57.74 -25.77 60.89 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.206 1.402 . . . . 0.0 113.589 169.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -131.91 152.58 80.53 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.85 1.66 . . . . 0.0 112.24 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.32 153.67 61.45 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 124.857 3.705 . . . . 0.0 112.799 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.38 125.12 89.82 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.025 0.93 . . . . 0.0 109.926 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.5 116.48 4.73 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.364 2.71 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.26 -21.0 61.44 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -61.0 -23.73 65.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.365 1.066 . . . . 0.0 113.205 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -115.98 6.06 14.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.201 1.401 . . . . 0.0 114.038 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.9 t -147.6 82.03 8.26 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.82 1.648 . . . . 0.0 108.947 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.98 -7.03 15.32 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.187 2.592 . . . . 0.0 113.049 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -108.08 12.39 26.87 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.87 1.668 . . . . 0.0 113.059 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -55.41 -41.67 73.06 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.704 -1.247 . . . . 0.0 112.468 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.7 mt -78.43 -19.15 53.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.219 1.408 . . . . 0.0 113.468 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.96 -24.26 58.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.039 0.935 . . . . 0.0 112.351 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -99.59 -30.97 11.83 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.255 1.022 . . . . 0.0 113.417 173.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.2 mm -118.55 111.93 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.941 1.296 . . . . 0.0 110.892 -174.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -76.11 -29.51 57.9 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.544 1.138 . . . . 0.0 113.598 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -136.14 86.45 25.49 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 126.011 1.725 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.31 145.14 16.76 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.371 2.714 . . . . 0.0 112.11 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 44.9 ttm -158.12 153.17 25.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -147.87 169.77 19.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 109.722 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -58.51 -29.7 66.48 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.85 -39.59 93.8 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.492 0.717 . . . . 0.0 112.326 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.2 m -63.76 -43.51 96.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.867 . . . . 0.0 110.885 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.9 mtp -62.89 -45.05 94.37 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.796 0.271 . . . . 0.0 111.564 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -58.16 -42.2 85.47 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -64.6 -46.24 83.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 111.825 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -62.74 -33.73 75.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -75.23 -42.92 54.29 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.264 1.026 . . . . 0.0 111.582 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.87 -15.99 62.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.089 0.955 . . . . 0.0 113.22 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.25 6.76 43.05 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.379 1.872 . . . . 0.0 113.363 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 63.08 30.05 16.21 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 113.954 172.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -79.06 -14.57 59.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.942 1.297 . . . . 0.0 113.935 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -97.07 106.91 19.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.926 1.29 . . . . 0.0 111.245 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.57 -7.66 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.853 1.261 . . . . 0.0 113.128 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -145.17 146.2 31.67 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.556 1.942 . . . . 0.0 109.779 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -66.96 -27.16 67.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.908 0.483 . . . . 0.0 112.161 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -57.3 -44.66 84.31 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.097 1.359 . . . . 0.0 112.832 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.5 -34.59 65.36 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.617 0.767 . . . . 0.0 112.336 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -67.97 -37.34 81.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.299 1.04 . . . . 0.0 111.65 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.44 -40.11 67.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.997 1.319 . . . . 0.0 111.924 173.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.18 -31.68 71.39 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.027 -1.046 . . . . 0.0 113.108 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.44 -29.86 65.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.558 -0.714 . . . . 0.0 112.399 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.09 -43.52 78.33 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.917 -1.114 . . . . 0.0 111.013 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -57.84 -31.33 66.54 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.942 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.9 -42.68 85.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.211 0.914 . . . . 0.0 112.155 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.7 -44.91 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.222 1.009 . . . . 0.0 111.093 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.94 -54.02 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.236 0.614 . . . . 0.0 110.483 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -61.5 -36.83 81.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 113.05 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -40.13 52.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.965 1.306 . . . . 0.0 112.904 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.2 t -78.32 -34.4 48.68 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.892 -0.505 . . . . 0.0 111.908 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.39 -21.88 52.51 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.087 0.955 . . . . 0.0 112.187 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -80.5 -24.58 39.3 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.632 1.573 . . . . 0.0 114.333 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -144.27 94.86 2.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.52 172.0 1.19 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.609 2.764 . . . . 0.0 110.323 172.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.51 165.68 17.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.047 0.939 . . . . 0.0 111.4 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -80.74 6.24 13.46 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.05 17.03 1.22 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.777 1.231 . . . . 0.0 113.973 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.3 p -95.21 156.95 16.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.083 1.353 . . . . 0.0 112.941 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.86 -41.31 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.746 1.218 . . . . 0.0 112.567 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.537 ' HB3' HH32 ' A' ' 5' ' ' ALY . 24.0 m-85 -67.85 -41.69 82.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.816 0.847 . . . . 0.0 112.517 -174.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.33 -43.56 92.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.52 0.728 . . . . 0.0 111.053 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.21 -30.1 60.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.299 1.039 . . . . 0.0 113.063 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.32 74.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.346 0.975 . . . . 0.0 112.389 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.6 81.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.621 0.768 . . . . 0.0 112.584 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.07 -39.97 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.579 0.752 . . . . 0.0 110.492 172.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.56 -33.02 74.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.386 0.674 . . . . 0.0 112.497 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.66 -43.58 84.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.861 0.864 . . . . 0.0 111.568 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -57.71 -32.6 67.55 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.997 0.919 . . . . 0.0 112.742 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.52 -67.49 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.656 1.183 . . . . 0.0 111.567 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.88 -45.81 73.45 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.525 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -79.45 -13.88 82.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 121.79 -0.569 . . . . 0.0 113.421 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.79 87.79 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.088 0.944 . . . . 0.0 111.329 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.793 0.797 . . . . 0.0 111.765 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.525 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.4 t -60.07 -39.87 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.853 0.861 . . . . 0.0 110.914 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.03 -36.81 78.15 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.909 -0.494 . . . . 0.0 111.465 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -72.9 -41.28 64.76 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -65.99 -25.46 67.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.078 0.951 . . . . 0.0 112.506 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.28 13.69 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.612 0.765 . . . . 0.0 112.499 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -60.49 -41.94 95.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.766 1.627 . . . . 0.0 112.516 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -65.59 -17.83 64.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.05 -17.1 61.46 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.249 1.02 . . . . 0.0 112.825 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.54 -39.41 12.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.754 1.222 . . . . 0.0 112.578 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.59 -31.72 71.1 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.69 67.81 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 5.6 mtm -73.49 -21.44 60.42 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.808 1.243 . . . . 0.0 112.928 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -107.28 26.29 19.12 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.643 2.068 . . . . 0.0 113.701 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 9.5 t -153.18 155.92 37.6 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.497 1.119 . . . . 0.0 112.293 -172.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -89.11 -175.99 46.44 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 125.196 1.379 . . . . 0.0 113.67 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.02 130.9 21.1 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.628 2.885 . . . . 0.0 110.408 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 10.1 t -83.57 -33.32 25.43 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.1 m 67.09 163.88 0.2 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.286 2.234 . . . . 0.0 114.614 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.271 -1.294 . . . . 0.0 112.963 178.512 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.737 0.304 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.17 -122.58 1.13 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.771 1.177 . . . . 0.0 113.121 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.74 160.11 41.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.919 1.688 . . . . 0.0 111.326 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.26 172.06 54.54 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.775 1.179 . . . . 0.0 113.166 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.401 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.73 151.63 19.2 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 126.621 2.058 . . . . 0.0 112.712 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.27 127.57 8.07 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.302 0.953 . . . . 0.0 111.329 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -161.49 -32.24 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.459 1.104 . . . . 0.0 113.817 -174.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.15 179.3 24.92 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 125.972 1.749 . . . . 0.0 113.192 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.155 1.782 . . . . 0.0 111.625 -176.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -91.42 124.47 35.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.611 1.164 . . . . 0.0 112.188 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m 66.25 8.53 5.66 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -148.27 158.62 27.75 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 125.135 1.35 . . . . 0.0 114.088 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -91.78 -8.38 46.93 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m 60.58 39.2 18.22 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 169.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.21 -28.59 50.17 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.48 1.514 . . . . 0.0 114.875 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.82 1.31 . . . . 0.0 113.106 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.65 -16.03 60.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.195 0.998 . . . . 0.0 112.861 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.2 mt -76.24 -29.86 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.68 1.192 . . . . 0.0 110.841 170.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.17 -44.54 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.472 -0.767 . . . . 0.0 110.473 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.54 -44.75 77.54 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.141 -0.457 . . . . 0.0 111.471 -173.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -64.34 -34.64 78.61 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.443 0.565 . . . . 0.0 112.306 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -77.44 -20.25 54.81 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.8 m -87.62 -44.17 11.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.461 1.104 . . . . 0.0 111.546 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.07 -39.85 75.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.378 1.071 . . . . 0.0 112.716 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.44 -28.0 69.37 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -79.51 -21.77 44.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.842 0.857 . . . . 0.0 112.707 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.38 -27.48 60.67 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.881 1.219 . . . . 0.0 111.615 169.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.8 -21.03 63.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.563 0.619 . . . . 0.0 112.412 175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.49 -7.36 53.93 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.371 1.068 . . . . 0.0 113.014 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -102.34 -2.57 28.68 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.449 1.5 . . . . 0.0 113.095 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.23 85.26 2.15 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.45 1.9 . . . . 0.0 109.392 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.9 t -85.67 -4.81 59.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.819 1.248 . . . . 0.0 113.922 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.69 -11.73 57.67 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.413 1.482 . . . . 0.0 113.672 170.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 60.79 26.42 16.24 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.365 1.866 . . . . 0.0 113.151 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.44 -32.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.685 1.594 . . . . 0.0 112.054 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -111.05 -15.65 13.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.714 1.605 . . . . 0.0 112.612 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -56.72 -22.38 34.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.359 1.464 . . . . 0.0 113.843 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -131.95 156.82 79.63 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.387 1.875 . . . . 0.0 111.736 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.65 150.93 79.73 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.583 3.522 . . . . 0.0 111.859 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.96 126.72 90.64 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.698 0.799 . . . . 0.0 109.933 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.67 117.29 5.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.442 2.761 . . . . 0.0 110.851 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.72 -23.72 62.51 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.06 -18.02 59.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.944 1.298 . . . . 0.0 113.923 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.37 6.32 10.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.214 1.406 . . . . 0.0 113.815 170.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -150.72 78.24 7.58 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.245 1.818 . . . . 0.0 109.073 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.02 -11.37 16.46 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.049 2.5 . . . . 0.0 113.012 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.63 12.55 36.21 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.784 1.633 . . . . 0.0 113.012 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -55.83 -41.22 73.94 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.802 -1.187 . . . . 0.0 112.39 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.47 -19.85 55.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.026 1.331 . . . . 0.0 113.403 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.67 -27.35 50.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.106 0.963 . . . . 0.0 112.304 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -96.27 -28.89 14.3 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 mm -118.8 112.06 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.116 1.367 . . . . 0.0 110.527 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -80.37 -26.97 38.32 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -130.41 68.39 81.26 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.81 1.644 . . . . 0.0 111.186 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.88 138.85 32.22 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.685 2.924 . . . . 0.0 111.597 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpt -153.9 162.41 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.016 1.326 . . . . 0.0 113.075 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.89 168.22 17.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 111.76 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.32 -29.8 71.05 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -66.96 -41.82 86.23 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.877 0.762 . . . . 0.0 110.894 173.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -68.98 -36.81 78.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.878 0.871 . . . . 0.0 111.263 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.8 mtp -56.27 -52.3 65.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.925 0.784 . . . . 0.0 110.859 170.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.68 -41.39 86.08 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -61.14 -46.31 91.08 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.218 1.007 . . . . 0.0 111.904 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.95 -32.74 74.41 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.833 0.853 . . . . 0.0 112.062 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 tt -73.31 -41.74 63.18 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.461 -1.399 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.08 -12.65 60.52 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.108 0.963 . . . . 0.0 113.504 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.22 8.24 33.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.86 1.664 . . . . 0.0 112.944 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 63.88 23.54 13.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.286 1.834 . . . . 0.0 114.079 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.18 -27.77 69.29 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.49 1.116 . . . . 0.0 112.71 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -85.99 101.72 13.15 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.971 1.308 . . . . 0.0 111.525 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 61.6 mt -96.4 -20.45 18.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.768 1.227 . . . . 0.0 113.633 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -141.22 149.92 42.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.337 1.855 . . . . 0.0 110.452 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -66.64 -26.69 67.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.315 0.646 . . . . 0.0 112.715 -172.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.79 -40.83 85.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.741 1.216 . . . . 0.0 112.722 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -77.34 -33.64 55.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.609 0.763 . . . . 0.0 112.308 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.11 -38.69 88.81 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.03 0.932 . . . . 0.0 111.652 172.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.56 -43.5 69.36 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.909 1.284 . . . . 0.0 111.586 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.09 -34.88 78.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.234 -0.916 . . . . 0.0 113.054 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.17 -27.15 62.39 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -70.03 -43.29 71.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.588 -0.695 . . . . 0.0 110.405 169.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -59.49 -31.29 69.22 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.126 0.57 . . . . 0.0 112.144 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.7 -42.46 99.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.864 0.866 . . . . 0.0 111.934 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.14 -47.83 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.002 0.921 . . . . 0.0 110.854 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 81.2 t -60.97 -50.45 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.058 . . . . 0.0 110.413 177.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -58.75 -41.44 86.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.382 1.073 . . . . 0.0 112.42 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.06 -21.69 64.98 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.089 -1.007 . . . . 0.0 113.583 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 45.5 t -74.17 -55.42 6.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.935 0.789 . . . . 0.0 109.72 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.79 -23.08 67.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -81.25 -14.33 57.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.737 2.015 . . . . 0.0 113.933 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -150.7 81.09 1.34 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 112.495 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -170.83 178.63 3.43 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.342 2.257 . . . . 0.0 111.408 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.73 157.22 16.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.787 1.235 . . . . 0.0 110.779 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -66.68 -4.71 9.48 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 -169.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -143.59 16.94 1.83 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -169.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 75.3 p -83.5 163.25 20.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 112.46 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 tt -55.3 -40.84 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.743 0.817 . . . . 0.0 110.995 169.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.401 ' HB3' HH32 ' A' ' 5' ' ' ALY . 37.9 m-85 -68.46 -41.34 80.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.834 1.254 . . . . 0.0 112.168 -175.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -58.68 -52.29 66.32 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.99 0.516 . . . . 0.0 110.422 171.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -67.66 -29.68 69.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.612 0.765 . . . . 0.0 112.733 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.69 -34.8 78.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.412 1.085 . . . . 0.0 112.788 171.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.31 75.64 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.409 -0.807 . . . . 0.0 112.062 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.37 -39.17 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.883 -0.511 . . . . 0.0 111.089 170.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -58.54 -47.51 83.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.733 0.813 . . . . 0.0 111.596 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.02 -45.26 95.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.012 0.925 . . . . 0.0 112.367 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -57.36 -32.72 67.05 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.409 1.084 . . . . 0.0 113.22 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -91.4 -64.19 1.16 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.956 1.303 . . . . 0.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -70.27 -42.79 71.64 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -169.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.445 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -82.33 -11.59 81.92 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 118.756 0.707 . . . . 0.0 113.232 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.89 88.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.216 1.008 . . . . 0.0 110.973 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.92 87.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.645 0.778 . . . . 0.0 112.081 169.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.445 HG23 ' HA2' ' B' ' 140' ' ' GLY . 52.4 t -62.7 -35.34 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.144 0.978 . . . . 0.0 111.761 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.65 -35.94 60.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.269 0.627 . . . . 0.0 111.301 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -67.39 -46.17 74.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.847 0.859 . . . . 0.0 112.758 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.02 -34.49 78.56 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.01 0.924 . . . . 0.0 112.022 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.01 -26.89 21.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.644 0.777 . . . . 0.0 112.489 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -56.61 -33.82 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.791 1.236 . . . . 0.0 111.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.17 -24.89 68.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.77 -23.8 60.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.087 0.858 . . . . 0.0 112.444 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.36 13.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.472 1.109 . . . . 0.0 111.984 171.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.46 -34.01 77.22 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -25.09 67.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -105.68 -13.63 15.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.599 1.559 . . . . 0.0 113.828 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.56 14.35 65.06 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.643 2.068 . . . . 0.0 114.168 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 36.7 m -124.95 155.84 38.97 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.557 1.543 . . . . 0.0 111.912 -178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -75.64 175.36 51.74 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.248 0.928 . . . . 0.0 113.608 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 131.57 26.22 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.761 2.974 . . . . 0.0 110.976 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 32.7 t -170.96 -49.15 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.741 1.616 . . . . 0.0 110.819 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 47.5 m -80.38 163.11 24.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.54 1.136 . . . . 0.0 112.231 170.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.235 0 C-N-CA 125.072 1.32 . . . . 0.0 112.842 -179.255 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.503 0.192 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.26 109.49 2.15 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.508 1.528 . . . . 0.0 112.532 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -96.76 -14.26 22.09 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.342 1.457 . . . . 0.0 113.636 175.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 149.09 19.17 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 124.875 1.226 . . . . 0.0 112.347 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.641 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.96 129.85 1.15 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.154 1.835 . . . . 0.0 112.484 171.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.3 141.73 15.51 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.416 1.484 . . . . 0.0 112.732 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -108.99 -7.66 15.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.276 1.43 . . . . 0.0 113.243 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 14.58 69.58 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.789 1.185 . . . . 0.0 113.644 -170.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 128.145 2.578 . . . . 0.0 111.29 -176.221 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -134.83 -52.59 0.8 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.973 0.909 . . . . 0.0 112.602 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 24.8 m -96.49 -0.61 48.76 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.363 1.065 . . . . 0.0 113.274 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.79 154.08 24.97 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.514 1.531 . . . . 0.0 112.318 -170.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -119.03 -178.06 3.48 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.025 1.33 . . . . 0.0 110.742 174.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 27.8 p -74.71 -74.41 0.2 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.741 -1.224 . . . . 0.0 111.963 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.58 -66.0 1.36 Allowed Glycine 0 C--N 1.338 0.652 0 C-N-CA 126.884 2.183 . . . . 0.0 111.115 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.8 -44.11 90.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.952 1.301 . . . . 0.0 112.514 -174.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.17 -23.03 65.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.223 1.009 . . . . 0.0 112.822 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.22 -31.54 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.445 1.098 . . . . 0.0 110.746 174.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.02 -48.18 77.36 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.653 -0.654 . . . . 0.0 110.166 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.59 -43.68 84.24 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.509 -171.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -61.89 -36.38 81.12 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.482 0.583 . . . . 0.0 112.033 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.47 -40.29 67.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.795 0.838 . . . . 0.0 112.854 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -69.39 -43.44 73.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.645 1.578 . . . . 0.0 111.523 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -57.97 -37.84 74.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.42 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.36 -22.44 62.77 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -81.77 -27.58 33.68 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.343 0.974 . . . . 0.0 111.896 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.59 -30.53 70.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.703 1.138 . . . . 0.0 111.285 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.7 -22.1 61.69 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.26 -13.69 61.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.081 0.855 . . . . 0.0 112.623 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -94.0 0.19 55.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.123 1.369 . . . . 0.0 113.13 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.09 78.05 1.68 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.909 2.083 . . . . 0.0 109.811 173.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 79.5 p -82.21 -7.96 59.63 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.187 1.395 . . . . 0.0 114.28 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.45 -10.55 67.8 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.944 1.735 . . . . 0.0 113.746 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 59.64 27.52 16.76 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.494 1.917 . . . . 0.0 113.191 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.63 -35.02 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.512 1.525 . . . . 0.0 111.725 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -112.19 -16.82 12.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.625 1.57 . . . . 0.0 112.231 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -59.02 -20.73 55.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.093 1.357 . . . . 0.0 114.104 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -129.72 154.49 80.98 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 125.906 1.682 . . . . 0.0 111.456 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -65.91 143.58 73.51 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 124.384 3.389 . . . . 0.0 112.018 -177.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.88 124.5 64.91 Favored Pre-proline 0 N--CA 1.481 1.117 0 C-N-CA 123.485 0.714 . . . . 0.0 110.54 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.84 113.22 3.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.354 2.703 . . . . 0.0 110.911 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.77 -23.31 63.35 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.063 0.545 . . . . 0.0 112.386 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -61.58 -18.49 59.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.916 1.287 . . . . 0.0 113.97 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -121.37 5.56 10.19 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.271 1.428 . . . . 0.0 113.695 170.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.96 78.7 11.4 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.493 1.517 . . . . 0.0 109.712 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.9 -12.16 17.94 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.118 2.546 . . . . 0.0 113.494 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -104.16 6.2 35.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.478 1.511 . . . . 0.0 113.314 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -55.84 -44.33 77.89 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.964 -1.085 . . . . 0.0 112.147 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.72 -18.07 59.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.337 1.455 . . . . 0.0 113.19 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.31 -20.46 25.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.893 1.277 . . . . 0.0 113.069 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -105.22 -25.56 12.4 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.369 1.068 . . . . 0.0 113.333 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.59 124.05 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.007 1.323 . . . . 0.0 110.365 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.17 -30.12 48.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.477 1.111 . . . . 0.0 113.387 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -137.21 69.52 55.71 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.929 1.692 . . . . 0.0 111.4 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.0 130.64 16.94 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.635 2.89 . . . . 0.0 111.415 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 16.7 ttt -162.6 150.93 14.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.997 1.319 . . . . 0.0 112.618 -170.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -147.3 174.96 11.15 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.748 2.419 . . . . 0.0 110.859 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -59.96 -23.64 63.74 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.99 -38.93 89.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.18 0.9 . . . . 0.0 111.378 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 42.0 m -67.76 -35.98 79.68 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.979 1.312 . . . . 0.0 111.666 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 55.5 mmm -56.95 -53.83 53.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.397 0.679 . . . . 0.0 110.628 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -58.29 -42.18 86.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -65.51 -45.18 84.51 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.762 0.825 . . . . 0.0 112.286 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -58.45 -40.63 83.16 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.56 0.744 . . . . 0.0 111.824 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.06 -41.74 70.34 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.26 -0.9 . . . . 0.0 112.314 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.4 -12.15 59.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 0.0 113.349 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.7 7.69 32.68 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.095 1.758 . . . . 0.0 113.021 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 65.08 22.83 12.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.756 2.022 . . . . 0.0 114.2 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -68.83 -20.86 64.31 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.223 1.009 . . . . 0.0 113.279 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -87.01 104.02 15.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.877 1.271 . . . . 0.0 111.47 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 59.8 mt -99.24 -19.52 17.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.223 1.409 . . . . 0.0 113.352 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -140.48 150.04 43.28 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.592 1.957 . . . . 0.0 110.313 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -66.25 -27.7 68.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.109 0.564 . . . . 0.0 112.452 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -44.35 76.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.993 1.317 . . . . 0.0 112.508 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -73.18 -33.66 65.55 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 0.0 112.615 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -67.18 -37.33 83.53 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.708 0.803 . . . . 0.0 111.513 174.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.65 -44.17 64.8 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.511 1.124 . . . . 0.0 111.443 173.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.89 -1.131 . . . . 0.0 113.146 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -74.47 -23.64 58.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.479 -0.763 . . . . 0.0 112.391 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -69.62 -44.01 71.53 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.974 . . . . 0.0 109.421 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -58.57 -32.83 69.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.549 0.74 . . . . 0.0 112.401 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.91 -43.67 98.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.999 0.92 . . . . 0.0 111.982 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.04 -43.21 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.727 0.811 . . . . 0.0 110.841 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.68 -55.55 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.823 0.849 . . . . 0.0 110.696 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.8 p -67.33 -27.04 66.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.39 -23.17 66.28 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.103 -0.998 . . . . 0.0 113.193 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.75 -53.21 8.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.774 0.715 . . . . 0.0 110.282 169.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 76.9 mt -56.46 -26.66 54.67 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.762 1.625 . . . . 0.0 113.302 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -87.24 -13.34 44.07 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.87 1.668 . . . . 0.0 114.301 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -138.29 70.03 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.685 1.594 . . . . 0.0 112.273 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.76 176.24 9.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.779 1.631 . . . . 0.0 112.247 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -114.62 162.69 16.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.095 1.358 . . . . 0.0 111.277 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.93 -0.19 2.17 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -137.13 6.42 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 51.9 p -84.36 158.63 21.08 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.085 0.857 . . . . 0.0 112.252 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.7 tt -58.41 -41.93 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 111.419 170.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.641 ' HB3' HH32 ' A' ' 5' ' ' ALY . 48.2 m-85 -68.27 -38.26 81.54 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.704 1.202 . . . . 0.0 112.335 -172.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.85 -51.8 68.1 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.176 0.99 . . . . 0.0 111.262 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -71.55 -28.7 64.03 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.588 0.755 . . . . 0.0 112.804 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.56 91.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.411 1.005 . . . . 0.0 112.344 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.75 80.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.4 0.68 . . . . 0.0 112.363 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.9 -42.27 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.192 0.597 . . . . 0.0 110.741 171.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -67.34 -33.31 74.97 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.558 -0.714 . . . . 0.0 112.833 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.54 -46.88 83.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.614 0.766 . . . . 0.0 111.282 169.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -59.28 -31.28 68.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.139 0.975 . . . . 0.0 113.129 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -81.13 -67.7 0.75 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.788 1.235 . . . . 0.0 111.757 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.32 -42.65 71.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -78.75 -10.29 86.32 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.607 0.64 . . . . 0.0 113.239 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.8 -36.39 92.16 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 118.139 0.97 . . . . 0.0 111.234 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.19 87.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.703 0.752 . . . . 0.0 111.695 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.446 HG23 ' HA2' ' B' ' 140' ' ' GLY . 40.6 t -61.75 -36.55 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.684 0.793 . . . . 0.0 111.632 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.38 -40.26 70.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.937 0.895 . . . . 0.0 111.551 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -67.61 -47.42 69.71 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.85 -35.33 80.28 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.015 0.926 . . . . 0.0 111.795 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.31 -25.84 23.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.867 0.867 . . . . 0.0 112.271 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -62.56 -32.3 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.92 1.288 . . . . 0.0 112.519 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -28.72 69.51 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.246 -0.909 . . . . 0.0 113.167 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -72.07 -21.1 61.56 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.54 1.136 . . . . 0.0 112.726 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.99 -43.22 11.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.21 1.004 . . . . 0.0 111.993 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.03 -34.08 75.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.857 0.863 . . . . 0.0 113.316 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -21.08 66.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 18.7 ptt? -113.75 -12.1 12.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.702 1.601 . . . . 0.0 114.584 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.55 -11.93 85.0 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.227 1.394 . . . . 0.0 113.631 173.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 74.3 m -137.42 146.27 44.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.446 1.898 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -77.56 166.8 53.58 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 123.968 0.794 . . . . 0.0 113.83 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.32 141.02 41.9 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.903 3.069 . . . . 0.0 111.049 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 56.7 p -84.84 -15.86 43.29 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 7.4 t -170.74 174.46 4.92 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.841 2.056 . . . . 0.0 110.907 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 C-N-CA 125.742 1.639 . . . . 0.0 112.858 178.241 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 119.451 -0.309 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.34 153.77 8.68 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.834 1.206 . . . . 0.0 113.06 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -107.32 60.86 0.62 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.861 1.265 . . . . 0.0 111.361 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.43 -20.47 46.31 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 125.916 1.722 . . . . 0.0 114.711 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.619 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.56 131.53 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 128.497 2.951 . . . . 0.0 112.117 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.8 155.12 27.5 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.816 1.198 . . . . 0.0 113.238 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -165.41 -42.35 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.184 1.393 . . . . 0.0 113.804 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.86 147.99 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.37 1.462 . . . . 0.0 112.755 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.716 1.606 . . . . 0.0 111.29 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.458 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 63.3 m -143.83 117.11 9.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.278 1.031 . . . . 0.0 111.137 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.4 t -71.2 -16.96 62.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.9 6.45 70.5 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.681 1.61 . . . . 0.0 115.117 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -121.69 127.01 50.29 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.037 1.418 . . . . 0.0 111.544 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -95.45 -11.86 26.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.948 0.899 . . . . 0.0 113.196 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.56 -23.98 67.41 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 121.388 -0.82 . . . . 0.0 111.61 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -66.69 -35.51 80.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.374 1.47 . . . . 0.0 112.22 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.91 -31.37 67.97 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.869 0.759 . . . . 0.0 111.3 -177.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.43 -35.82 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.601 1.161 . . . . 0.0 111.541 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.06 -39.33 74.69 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.931 0.892 . . . . 0.0 111.355 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.14 -35.18 71.61 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.963 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -60.0 -51.84 67.94 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.56 0.695 . . . . 0.0 110.258 170.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -62.41 -31.26 71.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.057 1.343 . . . . 0.0 112.749 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -78.06 -51.44 10.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.987 1.315 . . . . 0.0 110.985 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.39 -38.26 76.97 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.061 0.944 . . . . 0.0 112.855 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.24 -24.01 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.431 0.692 . . . . 0.0 112.776 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -83.14 -24.89 32.36 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.118 -0.989 . . . . 0.0 113.33 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.63 -24.15 65.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.481 1.491 . . . . 0.0 112.209 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -70.0 -20.98 63.26 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.375 -0.828 . . . . 0.0 112.514 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.16 2.34 18.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.516 1.126 . . . . 0.0 112.472 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -115.97 -1.52 12.51 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.06 1.744 . . . . 0.0 113.376 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -122.45 88.6 2.96 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.841 1.657 . . . . 0.0 109.946 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 3.5 t -89.42 -3.24 58.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.942 1.297 . . . . 0.0 114.122 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.98 -12.43 55.34 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.36 1.457 . . . . 0.0 114.102 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 60.48 22.85 12.5 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.792 2.037 . . . . 0.0 113.698 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.87 -28.71 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.094 1.358 . . . . 0.0 111.999 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -116.7 -16.66 10.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.893 1.677 . . . . 0.0 111.946 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.6 m -57.07 -26.05 59.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.329 1.052 . . . . 0.0 113.833 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.75 149.01 70.76 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 125.828 1.651 . . . . 0.0 112.599 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.79 148.81 86.94 Favored 'Trans proline' 0 C--N 1.351 0.675 1 C-N-CA 125.481 4.121 . . . . 0.0 112.826 -172.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.91 127.55 91.84 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.389 1.076 . . . . 0.0 109.908 175.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.56 107.25 2.41 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.018 2.479 . . . . 0.0 110.427 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.8 -23.19 63.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -61.72 -18.81 61.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.11 1.364 . . . . 0.0 113.917 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.98 6.01 7.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.171 1.388 . . . . 0.0 113.587 171.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.438 HG11 ' HD2' ' A' ' 5' ' ' ALY . 21.9 t -145.5 68.15 13.21 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 126.591 1.957 . . . . 0.0 108.861 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.66 -17.31 18.25 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.971 2.447 . . . . 0.0 112.558 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -92.18 6.48 46.47 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.603 1.561 . . . . 0.0 113.429 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' B' ' 77' ' ' VAL . 76.7 t80 -54.41 -47.42 72.79 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.371 -0.831 . . . . 0.0 111.747 171.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.28 -19.67 59.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.785 1.234 . . . . 0.0 113.487 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.02 -18.04 58.42 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.917 0.887 . . . . 0.0 112.898 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -105.85 -27.74 11.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.314 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 44.7 mm -115.49 107.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.772 1.629 . . . . 0.0 110.433 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -77.97 -27.16 49.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -126.33 77.23 72.62 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.657 1.583 . . . . 0.0 111.244 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.6 156.19 44.83 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.195 2.597 . . . . 0.0 111.562 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.05 166.1 32.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.929 1.692 . . . . 0.0 112.205 -176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.48 158.88 21.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.244 1.818 . . . . 0.0 111.036 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.07 -35.29 64.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.324 0.65 . . . . 0.0 112.598 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.96 -43.23 93.34 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.646 0.657 . . . . 0.0 111.657 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -62.7 -43.08 99.72 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.839 0.856 . . . . 0.0 111.104 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 87.9 mtp -62.63 -46.04 90.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.513 0.597 . . . . 0.0 111.716 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.83 -42.27 88.86 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.549 -0.72 . . . . 0.0 112.578 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -64.55 -45.37 87.38 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.427 1.091 . . . . 0.0 111.971 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -61.52 -39.85 92.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.461 0.705 . . . . 0.0 112.136 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.7 -41.99 78.38 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.144 -0.972 . . . . 0.0 111.797 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -68.78 -10.68 58.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.965 0.906 . . . . 0.0 113.255 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.92 4.93 43.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.998 1.719 . . . . 0.0 113.065 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 64.66 27.9 13.16 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.795 2.038 . . . . 0.0 113.613 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -74.98 -15.23 60.67 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.053 1.341 . . . . 0.0 113.401 -171.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -98.0 104.55 16.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.089 1.355 . . . . 0.0 111.13 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.55 -10.03 22.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.927 1.291 . . . . 0.0 113.103 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -145.79 149.39 34.27 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.691 1.996 . . . . 0.0 109.599 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -66.28 -27.52 68.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.02 0.528 . . . . 0.0 112.191 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.56 -43.74 89.47 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.885 1.274 . . . . 0.0 113.051 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -72.32 -35.68 68.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.074 0.852 . . . . 0.0 112.303 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.16 -39.42 86.47 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.188 0.995 . . . . 0.0 111.474 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.6 -41.16 79.98 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.039 1.335 . . . . 0.0 111.331 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.49 -34.02 75.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.146 0.979 . . . . 0.0 113.52 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.59 -30.83 69.66 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -68.53 -43.05 77.59 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.593 -0.692 . . . . 0.0 110.882 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.28 -35.45 73.77 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.852 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.86 -42.64 99.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.14 0.882 . . . . 0.0 111.337 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.19 -46.09 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.046 0.938 . . . . 0.0 111.301 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.46 -57.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.44 0.696 . . . . 0.0 110.29 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -64.1 -27.96 69.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.9 -22.78 64.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.418 1.008 . . . . 0.0 112.639 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.47 -45.84 24.37 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.437 -0.789 . . . . 0.0 110.04 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.93 -25.77 68.49 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.193 . . . . 0.0 113.024 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -84.68 -14.76 47.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.971 1.708 . . . . 0.0 113.948 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -147.85 86.51 1.58 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.979 1.312 . . . . 0.0 111.747 -174.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -165.0 -168.82 1.52 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.892 2.077 . . . . 0.0 110.945 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -133.89 156.44 48.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.293 1.437 . . . . 0.0 109.393 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.6 23.14 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.721 2.008 . . . . 0.0 116.362 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -156.36 11.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.51 1.924 . . . . 0.0 113.956 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 19.7 p -83.81 156.92 22.24 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.885 -1.135 . . . . 0.0 112.065 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 16.6 tt -68.78 -38.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 111.88 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.619 ' HB3' HH32 ' A' ' 5' ' ' ALY . 21.5 m-85 -72.04 -33.44 67.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.238 1.015 . . . . 0.0 113.332 -174.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -57.17 -48.35 78.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.955 0.902 . . . . 0.0 111.029 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.08 -26.31 56.37 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.7 74.25 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.338 -0.851 . . . . 0.0 112.66 171.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.29 71.54 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.434 -0.791 . . . . 0.0 112.739 172.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.21 -39.55 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.829 0.852 . . . . 0.0 110.767 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -57.87 -48.61 79.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.764 0.826 . . . . 0.0 111.837 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.91 -43.36 98.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.941 0.897 . . . . 0.0 112.496 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -56.67 -33.76 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.746 0.819 . . . . 0.0 113.028 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -88.03 -62.8 1.41 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.782 1.233 . . . . 0.0 111.127 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -67.63 -45.8 74.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.149 0.58 . . . . 0.0 112.286 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -84.54 -11.25 77.99 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.544 -0.587 . . . . 0.0 113.439 174.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.63 90.4 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-N 118.425 1.112 . . . . 0.0 110.748 169.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.34 92.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.635 0.774 . . . . 0.0 111.695 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.46 HG23 ' HA2' ' B' ' 140' ' ' GLY . 39.2 t -62.76 -38.62 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.202 1.001 . . . . 0.0 111.623 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.6 mt -69.74 -40.5 76.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.579 0.752 . . . . 0.0 111.403 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -65.11 -50.17 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -65.7 -32.52 74.12 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.244 1.018 . . . . 0.0 112.247 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.73 21.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.571 0.749 . . . . 0.0 111.56 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.72 -29.58 70.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.145 1.378 . . . . 0.0 111.974 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -54.61 -32.48 58.86 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.18 0.992 . . . . 0.0 113.402 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -72.52 -22.0 61.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.543 1.137 . . . . 0.0 112.809 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.41 11.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.908 1.283 . . . . 0.0 112.03 170.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.38 -31.12 72.2 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -22.85 67.08 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -110.75 -15.16 13.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.711 1.604 . . . . 0.0 113.946 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.2 86.14 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.548 1.547 . . . . 0.0 113.669 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 19.5 t -121.68 144.59 48.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.255 1.822 . . . . 0.0 110.742 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -143.92 -166.98 11.61 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.41 140.29 52.2 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.612 2.874 . . . . 0.0 110.979 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 27.1 t -168.32 -46.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.215 1.406 . . . . 0.0 111.261 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 57.1 m -98.37 146.02 26.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.889 1.276 . . . . 0.0 111.418 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.272 -1.293 . . . . 0.0 113.039 -179.055 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.84 0.352 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.39 140.5 4.1 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.715 1.15 . . . . 0.0 112.907 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -81.31 -31.94 33.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.935 0.894 . . . . 0.0 112.985 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -0.52 85.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.418 1.485 . . . . 0.0 115.865 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.03 149.83 5.97 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 127.869 2.652 . . . . 0.0 111.514 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.68 144.0 30.9 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 123.98 0.8 . . . . 0.0 112.111 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.63 119.93 17.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.59 0.756 . . . . 0.0 111.632 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.44 23.86 34.55 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 126.006 1.765 . . . . 0.0 114.172 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.595 1.958 . . . . 0.0 112.685 -169.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 69.8 13.48 8.06 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.169 1.788 . . . . 0.0 114.734 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -66.83 136.19 55.05 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.74 -1.225 . . . . 0.0 111.879 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.6 -109.71 0.56 Allowed Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.505 1.05 . . . . 0.0 111.466 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.1 m -73.26 -15.06 61.43 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m 55.0 57.69 5.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.129 1.771 . . . . 0.0 114.546 170.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.95 79.19 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.039 1.305 . . . . 0.0 113.531 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.93 -38.08 81.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.658 1.183 . . . . 0.0 112.719 172.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.45 -17.46 60.14 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.079 0.951 . . . . 0.0 112.96 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 71.0 mt -76.81 -27.19 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.473 1.109 . . . . 0.0 111.154 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.18 -52.64 53.65 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.529 -0.732 . . . . 0.0 109.882 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.0 -41.45 99.58 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.186 0.594 . . . . 0.0 111.941 -170.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.181 0.446 . . . . 0.0 111.961 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -71.41 -29.32 64.78 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.6 m -72.76 -49.97 27.52 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.169 0.987 . . . . 0.0 110.676 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.15 -39.54 82.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.745 0.818 . . . . 0.0 112.397 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -63.04 -29.02 70.49 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.05 -34.24 43.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.687 1.131 . . . . 0.0 112.112 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.19 -31.93 72.51 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.827 1.194 . . . . 0.0 111.475 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.09 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -88.32 -13.59 40.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.195 0.998 . . . . 0.0 113.01 171.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -80.11 -20.44 45.03 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.714 -1.241 . . . . 0.0 113.171 173.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -100.3 84.29 2.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.433 1.493 . . . . 0.0 110.475 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -86.43 -5.46 59.15 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.788 1.235 . . . . 0.0 114.078 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.94 -12.15 62.48 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.298 1.428 . . . . 0.0 113.739 169.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 61.68 24.71 14.76 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.658 1.983 . . . . 0.0 113.175 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.64 -32.87 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.167 1.387 . . . . 0.0 112.133 -173.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.29 -20.94 11.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.587 1.555 . . . . 0.0 112.271 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -57.62 -21.81 41.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.097 1.359 . . . . 0.0 114.134 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -132.47 155.47 81.22 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.203 1.801 . . . . 0.0 112.022 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.45 146.21 67.56 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.749 3.633 . . . . 0.0 112.231 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.64 125.9 89.15 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.089 0.956 . . . . 0.0 109.269 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 129.02 13.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.293 2.662 . . . . 0.0 111.893 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.39 -14.5 62.19 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.927 0.891 . . . . 0.0 113.028 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -69.97 -31.71 69.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.526 0.73 . . . . 0.0 112.004 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -88.56 -34.94 17.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.931 0.892 . . . . 0.0 112.031 172.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 t -128.89 79.36 74.69 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.75 1.22 . . . . 0.0 110.395 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.09 -16.22 15.9 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 123.262 2.641 . . . . 0.0 113.259 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -93.72 1.3 56.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.423 1.089 . . . . 0.0 113.115 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -55.68 -41.56 73.89 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.208 1.003 . . . . 0.0 112.512 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 mt -75.29 -19.61 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.194 1.397 . . . . 0.0 113.324 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.75 -19.54 28.96 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.743 1.217 . . . . 0.0 112.853 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -102.63 -28.6 12.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.637 1.175 . . . . 0.0 112.876 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.4 mm -114.57 120.81 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.626 1.57 . . . . 0.0 110.033 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -80.57 -26.39 37.97 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -130.92 63.59 70.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.886 1.674 . . . . 0.0 111.674 -177.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.94 129.19 16.99 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.615 2.876 . . . . 0.0 110.834 -172.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 17.5 ttt -161.87 154.98 20.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.745 1.218 . . . . 0.0 112.471 -169.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -151.43 179.15 8.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.826 2.05 . . . . 0.0 111.833 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.98 -32.57 66.21 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.31 -39.48 94.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.38 0.991 . . . . 0.0 111.471 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.1 m -66.19 -40.83 90.71 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.201 1.0 . . . . 0.0 111.325 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 80.4 mtp -60.5 -49.14 78.75 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.42 0.555 . . . . 0.0 111.519 171.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -59.01 -42.34 89.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.035 0.934 . . . . 0.0 112.498 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.97 -47.05 78.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.462 1.105 . . . . 0.0 111.906 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.71 -35.76 78.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.072 0.549 . . . . 0.0 112.244 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.94 -43.87 56.85 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.408 1.083 . . . . 0.0 111.913 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.63 -16.82 64.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.031 0.933 . . . . 0.0 113.389 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 -5.71 28.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.465 1.506 . . . . 0.0 113.369 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 74.34 37.1 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.315 2.646 . . . . 0.0 114.372 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -80.66 -15.47 56.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.659 1.183 . . . . 0.0 113.447 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -89.17 104.27 16.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.175 0.99 . . . . 0.0 111.407 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.34 -1.86 24.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.478 1.511 . . . . 0.0 112.886 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -145.1 139.34 27.27 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.07 1.748 . . . . 0.0 109.391 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -64.04 -25.37 68.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.735 0.814 . . . . 0.0 111.825 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -62.28 -40.24 95.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.36 1.064 . . . . 0.0 112.712 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.04 -36.04 56.37 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.706 0.802 . . . . 0.0 112.039 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -64.31 -39.15 93.34 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.578 1.151 . . . . 0.0 111.906 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.32 -41.06 70.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.645 1.178 . . . . 0.0 111.658 174.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -64.92 -36.18 83.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.039 -1.038 . . . . 0.0 113.339 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -71.38 -22.87 61.82 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.82 -43.37 65.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.389 0.995 . . . . 0.0 109.808 169.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -59.0 -32.42 69.68 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.609 0.763 . . . . 0.0 112.262 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.67 -41.35 99.03 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.903 0.881 . . . . 0.0 112.154 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.01 -43.82 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 121.536 -0.727 . . . . 0.0 110.621 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.77 -53.98 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.843 0.857 . . . . 0.0 110.673 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -66.29 -35.5 80.56 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.15 -30.72 70.56 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.996 173.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 46.3 t -73.52 -47.99 36.66 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.551 0.614 . . . . 0.0 111.435 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.5 -27.52 67.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.348 1.059 . . . . 0.0 112.428 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -73.69 -19.69 60.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.267 1.427 . . . . 0.0 114.284 171.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -126.39 56.76 1.44 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.97 1.708 . . . . 0.0 112.376 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -166.73 152.23 8.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.49 1.516 . . . . 0.0 112.068 173.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.53 157.11 22.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.341 1.056 . . . . 0.0 109.754 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -64.7 -11.29 34.3 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -172.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -109.48 1.08 19.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.667 1.587 . . . . 0.0 114.335 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 25.4 p -85.95 158.59 19.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.279 0.945 . . . . 0.0 112.435 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.3 tt -60.41 -42.0 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.945 0.898 . . . . 0.0 111.492 170.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -69.03 -36.45 77.76 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.734 1.213 . . . . 0.0 112.333 -172.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.84 -52.86 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.646 0.778 . . . . 0.0 110.571 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -37.35 87.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.695 1.198 . . . . 0.0 111.465 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.79 -34.88 71.98 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.102 0.865 . . . . 0.0 112.942 175.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.07 68.56 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.565 -0.709 . . . . 0.0 112.686 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.9 -41.67 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.481 0.582 . . . . 0.0 110.316 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -37.65 88.33 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.35 1.06 . . . . 0.0 112.195 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.38 -45.57 90.48 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.882 0.873 . . . . 0.0 111.931 169.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -57.17 -34.44 68.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.87 0.868 . . . . 0.0 112.834 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -83.48 -65.27 1.03 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.292 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -68.71 -44.14 74.52 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -170.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.53 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.61 -16.86 72.21 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 118.499 0.59 . . . . 0.0 113.251 175.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.65 87.82 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 118.158 0.979 . . . . 0.0 110.847 169.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.34 92.51 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.417 0.687 . . . . 0.0 111.892 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.53 HG23 ' HA2' ' B' ' 140' ' ' GLY . 21.3 t -61.92 -38.95 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.106 0.963 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.23 -39.59 71.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.637 0.775 . . . . 0.0 111.256 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -64.93 -48.52 73.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.232 1.013 . . . . 0.0 112.487 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.03 -32.02 73.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.765 0.826 . . . . 0.0 112.285 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.03 -22.61 19.04 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.263 1.025 . . . . 0.0 112.93 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -60.02 -32.75 71.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.198 0.999 . . . . 0.0 111.801 169.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -57.64 -30.41 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.793 1.237 . . . . 0.0 113.482 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -71.11 -25.11 62.45 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 112.26 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.15 -43.9 11.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.935 1.294 . . . . 0.0 111.921 170.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.58 -31.03 71.78 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -23.86 66.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -109.33 -16.42 14.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.612 1.565 . . . . 0.0 114.015 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.65 11.81 68.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 126.249 1.88 . . . . 0.0 114.032 174.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 33.5 p -69.95 157.7 36.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.869 1.668 . . . . 0.0 113.835 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -161.45 -171.78 27.95 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.48 1.514 . . . . 0.0 113.249 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -69.25 138.74 40.19 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.479 2.786 . . . . 0.0 110.906 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 9.4 t -74.6 -24.38 58.87 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 64.0 p -167.96 147.15 4.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.531 1.932 . . . . 0.0 111.165 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 C-N-CA 125.118 1.342 . . . . 0.0 112.891 179.169 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.322 0.106 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.33 30.05 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 124.812 1.196 . . . . 0.0 113.634 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -59.96 -40.63 89.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.657 1.183 . . . . 0.0 113.527 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.77 -24.46 76.32 Favored Glycine 0 N--CA 1.473 1.148 0 O-C-N 121.645 -0.659 . . . . 0.0 113.947 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.533 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.95 19.68 0.02 OUTLIER Glycine 0 CA--C 1.532 1.151 0 N-CA-C 117.375 1.71 . . . . 0.0 117.375 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.48 -122.12 7.7 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.229 1.514 . . . . 0.0 111.577 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -155.79 131.9 10.03 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.474 1.109 . . . . 0.0 112.024 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.57 177.37 16.8 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.014 1.769 . . . . 0.0 113.096 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.751 1.62 . . . . 0.0 111.408 175.651 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.6 p -163.96 150.5 11.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.294 1.438 . . . . 0.0 111.476 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t 71.6 -1.29 2.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.246 1.819 . . . . 0.0 114.431 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.25 -108.52 1.7 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 126.238 1.875 . . . . 0.0 111.522 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -72.76 -16.26 61.64 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -108.04 103.45 12.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.841 1.656 . . . . 0.0 111.638 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.06 -34.97 1.4 Allowed Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.922 1.249 . . . . 0.0 113.423 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.14 -39.85 83.65 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.414 1.086 . . . . 0.0 112.695 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.0 -22.17 64.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.739 0.816 . . . . 0.0 112.752 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.39 -34.52 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.064 0.946 . . . . 0.0 110.517 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.86 -46.17 91.64 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.875 -0.516 . . . . 0.0 110.194 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.88 -45.75 70.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.909 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -64.75 -32.98 74.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.619 0.645 . . . . 0.0 112.529 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -77.26 -22.63 51.86 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.7 m -87.75 -38.06 16.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.644 1.178 . . . . 0.0 112.217 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.59 -40.95 76.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.546 1.066 . . . . 0.0 112.902 -176.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.35 -29.71 70.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 174.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.35 -15.95 60.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.422 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.97 -37.3 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.591 1.087 . . . . 0.0 109.546 169.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -66.13 -32.03 73.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.665 0.786 . . . . 0.0 112.375 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.04 -15.08 63.5 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -85.74 -6.83 59.07 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.6 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -109.63 78.1 1.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.479 1.912 . . . . 0.0 110.156 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -82.45 -7.18 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.055 1.342 . . . . 0.0 114.09 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.03 -11.42 65.08 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.122 1.82 . . . . 0.0 113.889 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 62.4 26.35 15.72 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.457 1.903 . . . . 0.0 113.356 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.0 mt -74.26 -31.74 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.939 1.695 . . . . 0.0 112.25 -173.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -113.47 -16.16 12.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.824 1.65 . . . . 0.0 112.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -61.12 -23.96 65.9 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.85 1.26 . . . . 0.0 113.744 170.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.52 152.13 79.45 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.699 1.6 . . . . 0.0 112.066 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.88 151.76 68.47 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 124.861 3.707 . . . . 0.0 112.996 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.55 124.97 86.36 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 124.369 1.068 . . . . 0.0 109.766 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.44 117.19 4.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.282 2.655 . . . . 0.0 110.837 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.4 mt -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.6 m -69.8 -26.91 64.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.02 0.928 . . . . 0.0 112.429 170.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -92.62 -35.19 13.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.268 1.027 . . . . 0.0 111.84 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.11 82.44 66.1 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.981 1.312 . . . . 0.0 110.556 -176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.32 -12.69 18.95 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.283 2.655 . . . . 0.0 112.849 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -99.45 13.1 34.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.811 1.644 . . . . 0.0 112.912 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.88 -41.15 81.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.797 -1.189 . . . . 0.0 112.148 -176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.27 -18.96 59.96 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.211 1.404 . . . . 0.0 113.405 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.24 -27.43 59.49 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.063 0.945 . . . . 0.0 112.399 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -94.72 -33.74 12.81 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.067 0.947 . . . . 0.0 112.806 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.0 mm -118.56 113.01 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.195 1.398 . . . . 0.0 111.25 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -76.15 -27.66 57.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -133.45 81.61 54.39 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 125.009 1.323 . . . . 0.0 111.462 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.63 150.08 21.43 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.048 3.165 . . . . 0.0 111.491 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 41.9 ttm -164.83 157.13 16.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.067 1.347 . . . . 0.0 113.126 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -151.37 170.21 20.1 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.534 2.334 . . . . 0.0 110.571 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.33 -26.14 67.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.11 -41.57 90.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.125 0.57 . . . . 0.0 111.601 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 94.9 m -65.24 -41.09 94.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.95 0.9 . . . . 0.0 111.061 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 10.0 mmm -59.57 -49.91 75.92 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.462 0.574 . . . . 0.0 111.202 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.56 -44.9 81.38 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.6 -44.08 91.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.685 0.794 . . . . 0.0 111.744 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -60.87 -39.25 88.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.955 0.902 . . . . 0.0 112.012 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.24 -43.69 70.06 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.841 -1.162 . . . . 0.0 111.699 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.15 -11.04 60.44 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.221 1.008 . . . . 0.0 113.127 174.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.71 10.87 32.66 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.476 1.91 . . . . 0.0 112.901 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 63.44 22.93 13.47 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.128 1.771 . . . . 0.0 113.923 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.39 -27.01 64.94 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.298 1.039 . . . . 0.0 113.247 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -90.53 106.72 18.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.48 1.112 . . . . 0.0 111.306 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.28 -22.68 13.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.888 1.275 . . . . 0.0 112.829 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.56 150.65 51.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.514 1.926 . . . . 0.0 109.618 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.29 -24.37 66.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.835 0.454 . . . . 0.0 112.16 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.72 -44.48 73.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.164 1.385 . . . . 0.0 112.547 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 -33.07 64.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.644 0.778 . . . . 0.0 112.414 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -69.12 -35.7 76.71 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.088 0.955 . . . . 0.0 111.518 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.44 -36.09 63.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.339 1.455 . . . . 0.0 112.056 174.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -78.35 -31.97 48.84 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.07 -29.95 65.96 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.635 -0.665 . . . . 0.0 111.147 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -67.59 -43.45 80.49 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.072 -1.017 . . . . 0.0 110.283 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -58.21 -30.49 66.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.244 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.5 -44.79 77.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.193 0.997 . . . . 0.0 112.355 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.38 -39.9 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.988 0.915 . . . . 0.0 110.978 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.3 -60.33 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.489 0.715 . . . . 0.0 110.82 172.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 84.7 p -65.85 -36.18 82.74 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -74.91 -8.17 55.68 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.54 -47.54 8.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.405 0.682 . . . . 0.0 109.663 169.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.11 -25.29 67.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.341 1.057 . . . . 0.0 112.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -76.33 -15.43 59.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.914 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -144.03 81.1 1.67 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 111.183 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.42 169.15 4.47 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.492 1.917 . . . . 0.0 111.336 174.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 158.81 15.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.322 1.049 . . . . 0.0 111.415 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -77.56 10.14 2.85 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -128.77 9.09 5.84 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.133 1.773 . . . . 0.0 113.596 -172.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 66.9 p -105.66 162.67 13.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.911 1.284 . . . . 0.0 113.555 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.8 tt -66.15 -40.56 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 111.277 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.533 ' HB3' HH32 ' A' ' 5' ' ' ALY . 39.7 m-85 -68.51 -38.18 80.7 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.272 1.029 . . . . 0.0 112.939 -170.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.48 -49.77 72.31 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.121 0.568 . . . . 0.0 110.638 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -62.06 -33.17 73.9 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.599 1.16 . . . . 0.0 112.922 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.17 -35.01 78.86 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.542 1.065 . . . . 0.0 112.871 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.02 70.19 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.505 -0.747 . . . . 0.0 112.425 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.93 -40.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.108 0.563 . . . . 0.0 110.761 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -63.01 -42.83 99.92 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.884 0.874 . . . . 0.0 111.779 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.8 -45.33 92.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.233 1.013 . . . . 0.0 112.461 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -58.54 -32.89 69.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.948 0.899 . . . . 0.0 113.228 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -82.55 -63.08 1.44 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.622 1.169 . . . . 0.0 111.359 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.68 -49.85 60.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.84 0.856 . . . . 0.0 112.469 -170.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.62 -9.68 85.34 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.423 -0.654 . . . . 0.0 113.605 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.78 -33.81 88.23 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 118.399 1.1 . . . . 0.0 111.189 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.3 -41.88 72.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.849 0.86 . . . . 0.0 111.924 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.405 HG23 ' HA2' ' B' ' 140' ' ' GLY . 85.0 t -60.03 -38.65 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.461 1.104 . . . . 0.0 111.245 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 63.9 mt -71.2 -31.04 67.13 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.132 0.573 . . . . 0.0 111.871 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -45.84 49.73 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.047 0.839 . . . . 0.0 113.14 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.13 -23.56 67.17 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.756 1.223 . . . . 0.0 112.637 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.4 -32.02 12.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.619 0.767 . . . . 0.0 112.569 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.67 -39.27 87.82 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.467 1.107 . . . . 0.0 112.657 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -64.11 -18.29 64.26 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.87 -20.53 58.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.412 1.085 . . . . 0.0 112.712 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.99 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.931 1.292 . . . . 0.0 112.424 171.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.6 -31.93 73.23 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.432 0.693 . . . . 0.0 112.846 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -25.13 67.76 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 175.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.72 -29.49 64.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.42 1.088 . . . . 0.0 112.759 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -85.82 -40.8 7.47 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.918 1.247 . . . . 0.0 111.966 173.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 4.4 t 64.67 -169.53 0.2 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.206 1.803 . . . . 0.0 113.337 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 178.04 -178.86 48.56 Favored Glycine 0 CA--C 1.539 1.578 0 O-C-N 120.873 -1.142 . . . . 0.0 114.773 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.58 -177.44 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.636 3.557 . . . . 0.0 111.717 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 80.4 p -144.76 155.18 43.4 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.968 1.307 . . . . 0.0 112.545 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 70.0 m -148.49 157.0 43.19 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.56 1.544 . . . . 0.0 111.639 -171.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 124.977 1.275 . . . . 0.0 113.664 176.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 119.474 -0.298 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.62 171.63 45.09 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.31 1.433 . . . . 0.0 113.327 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -144.66 150.89 38.13 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.847 1.659 . . . . 0.0 111.333 -176.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.96 21.9 34.39 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.691 1.615 . . . . 0.0 114.685 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.519 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.89 94.54 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.381 1.943 . . . . 0.0 112.34 170.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.18 150.3 28.74 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.121 1.344 . . . . 0.0 112.819 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? 64.18 2.86 1.58 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.923 2.089 . . . . 0.0 115.325 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.29 -160.25 22.33 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 126.177 1.846 . . . . 0.0 113.393 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.737 1.615 . . . . 0.0 112.418 176.585 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -74.1 -36.23 64.23 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.249 1.019 . . . . 0.0 113.51 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t 70.79 -42.57 0.53 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.482 2.713 . . . . 0.0 114.95 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -58.71 1.23 Allowed Glycine 0 N--CA 1.47 0.918 0 C-N-CA 125.859 1.695 . . . . 0.0 112.921 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 32.7 p -88.09 152.11 22.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.822 1.249 . . . . 0.0 112.714 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 34.6 m 64.44 29.3 13.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.089 1.356 . . . . 0.0 114.61 169.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.43 -30.68 56.04 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.735 1.636 . . . . 0.0 114.673 -170.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.15 -39.69 87.23 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.353 1.077 . . . . 0.0 112.828 173.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -24.34 61.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.679 0.791 . . . . 0.0 112.038 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.6 mt -68.46 -32.1 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.578 0.751 . . . . 0.0 111.072 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.64 -43.52 96.55 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.543 -0.723 . . . . 0.0 110.421 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.59 -44.19 71.28 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.03 0.532 . . . . 0.0 111.681 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.32 -31.41 72.02 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.91 -37.35 62.11 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 112.368 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.3 m -73.93 -47.43 37.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.158 1.383 . . . . 0.0 111.687 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.06 -36.17 76.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.214 0.916 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -71.63 -21.5 61.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.865 0.866 . . . . 0.0 112.877 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.36 -33.02 28.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.63 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.01 -32.89 74.35 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.158 1.345 . . . . 0.0 111.864 169.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -65.99 -16.13 63.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.237 1.015 . . . . 0.0 113.161 174.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -91.42 0.33 57.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.042 1.337 . . . . 0.0 112.931 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -103.33 -4.77 23.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.167 1.387 . . . . 0.0 113.621 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -105.19 99.74 9.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.787 1.635 . . . . 0.0 109.55 170.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.1 t -96.65 -0.17 48.89 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.939 1.296 . . . . 0.0 114.427 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.97 -9.71 44.76 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.186 1.374 . . . . 0.0 114.204 170.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 m120 61.39 23.47 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.516 1.926 . . . . 0.0 112.811 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 -31.93 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.739 1.616 . . . . 0.0 112.038 -173.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -112.92 -18.04 12.34 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.803 1.641 . . . . 0.0 112.135 -177.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -53.91 -25.81 22.02 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.41 1.484 . . . . 0.0 114.042 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.98 156.46 80.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.481 1.913 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.88 146.01 76.5 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.459 3.439 . . . . 0.0 111.84 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.39 126.65 92.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 123.857 0.863 . . . . 0.0 109.705 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 111.77 3.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.195 2.597 . . . . 0.0 110.669 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.84 -22.65 64.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.007 0.523 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -60.49 -17.96 48.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.107 1.363 . . . . 0.0 113.949 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -123.19 7.11 9.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.236 1.414 . . . . 0.0 113.747 170.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.5 t -149.51 73.17 9.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.974 1.709 . . . . 0.0 109.418 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.27 -12.51 15.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.926 2.418 . . . . 0.0 112.906 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -96.79 5.2 51.06 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.305 1.442 . . . . 0.0 113.142 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.03 -41.08 77.93 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.05 -1.031 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -74.33 -20.67 60.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.148 1.379 . . . . 0.0 113.343 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.94 -15.06 45.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.819 1.248 . . . . 0.0 112.891 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -108.28 -32.16 7.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.829 1.252 . . . . 0.0 113.003 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.11 116.5 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.475 1.51 . . . . 0.0 109.759 -175.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -77.8 -28.35 50.38 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.13 67.38 80.61 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.898 1.679 . . . . 0.0 111.06 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.62 132.27 21.63 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.728 2.952 . . . . 0.0 110.77 -171.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttt -160.02 155.25 25.04 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -169.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -156.48 177.87 10.97 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.678 2.391 . . . . 0.0 110.984 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -58.89 -28.0 65.75 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.19 -39.36 89.65 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.626 1.103 . . . . 0.0 111.613 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.4 m -65.96 -42.11 90.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 0.0 111.157 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -62.12 -46.5 88.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.765 0.711 . . . . 0.0 111.311 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.8 -44.11 81.6 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.717 -0.614 . . . . 0.0 112.352 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -65.12 -42.51 93.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.028 0.931 . . . . 0.0 112.446 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -60.02 -40.25 88.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.052 0.541 . . . . 0.0 112.019 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.12 -40.32 71.5 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.149 0.98 . . . . 0.0 111.959 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.42 -18.78 62.48 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.542 1.137 . . . . 0.0 112.999 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.93 4.3 39.94 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.059 1.744 . . . . 0.0 113.227 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 64.94 23.81 12.62 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.707 2.003 . . . . 0.0 113.717 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -69.4 -21.68 63.75 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 112.831 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 103.28 14.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.767 1.227 . . . . 0.0 110.92 173.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.21 -15.01 18.25 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.246 1.418 . . . . 0.0 113.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -140.4 143.27 35.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.296 2.238 . . . . 0.0 110.002 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -67.68 -23.77 65.34 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.15 -39.65 93.26 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.666 -0.647 . . . . 0.0 112.709 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.02 -27.96 54.76 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.318 0.963 . . . . 0.0 112.483 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.09 -38.41 78.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.597 0.759 . . . . 0.0 111.719 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.71 -36.74 67.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.823 1.249 . . . . 0.0 112.027 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.64 -31.57 62.01 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.31 -27.43 67.16 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.612 -0.68 . . . . 0.0 112.359 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -71.26 -43.61 66.88 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.895 0.77 . . . . 0.0 110.857 169.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.53 -32.02 69.94 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.687 -0.633 . . . . 0.0 112.516 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.37 -45.43 93.21 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.871 1.268 . . . . 0.0 111.833 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.97 -44.37 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.783 0.833 . . . . 0.0 110.75 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.73 -57.95 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.709 0.804 . . . . 0.0 110.494 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.1 p -65.86 -34.16 77.5 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.01 -21.11 66.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.034 -1.041 . . . . 0.0 113.752 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -74.54 -49.08 23.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.797 0.726 . . . . 0.0 110.962 171.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.11 -36.47 84.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.144 1.378 . . . . 0.0 111.72 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -67.67 -17.22 64.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.275 1.43 . . . . 0.0 114.571 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -111.11 2.28 17.79 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.99 156.22 36.82 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.565 -1.334 . . . . 0.0 111.383 -170.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.08 175.84 9.69 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.682 0.753 . . . . 0.0 111.943 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -0.81 10.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -170.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.31 17.47 0.94 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 69.8 p -84.91 158.22 20.63 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.23 -0.919 . . . . 0.0 112.458 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.64 -43.88 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.308 1.043 . . . . 0.0 112.115 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.519 ' HB3' HH32 ' A' ' 5' ' ' ALY . 51.7 m-85 -68.75 -39.76 80.14 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.737 0.815 . . . . 0.0 111.793 -172.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -56.71 -49.84 73.96 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.811 . . . . 0.0 110.5 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -70.94 -26.91 63.39 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.3 82.36 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.432 1.014 . . . . 0.0 112.171 170.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.55 71.32 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.485 -0.76 . . . . 0.0 112.268 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.34 -42.93 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.277 0.631 . . . . 0.0 110.603 170.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -62.02 -44.14 97.35 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.014 0.926 . . . . 0.0 111.82 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -58.37 -44.08 88.72 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.096 0.862 . . . . 0.0 112.217 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -57.68 -30.88 65.83 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -87.69 -62.49 1.48 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.873 1.269 . . . . 0.0 111.351 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.88 -48.09 78.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.868 0.867 . . . . 0.0 112.044 -171.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.449 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -88.63 -9.57 68.7 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.697 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.82 92.53 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 118.561 1.18 . . . . 0.0 110.65 169.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.12 97.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.771 0.828 . . . . 0.0 111.875 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.449 HG23 ' HA2' ' B' ' 140' ' ' GLY . 47.5 t -63.38 -35.73 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.478 1.111 . . . . 0.0 111.825 -177.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 61.8 mt -73.31 -39.23 65.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.535 0.734 . . . . 0.0 111.5 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -68.57 -39.65 80.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.04 0.936 . . . . 0.0 113.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -72.0 -33.79 68.37 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.429 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.88 -26.57 25.55 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.749 -0.594 . . . . 0.0 111.453 -170.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -59.61 -32.18 70.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.83 1.652 . . . . 0.0 111.662 169.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -59.15 -33.22 70.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.934 0.894 . . . . 0.0 113.023 175.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.22 -20.58 61.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.839 1.256 . . . . 0.0 112.789 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.84 -40.2 13.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.151 0.98 . . . . 0.0 112.613 171.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.3 -31.4 69.85 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.05 67.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 8.8 mtm -67.75 -22.3 65.23 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.47 1.108 . . . . 0.0 112.846 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -103.11 25.89 25.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.703 2.097 . . . . 0.0 113.588 175.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 7.7 t -153.36 179.42 8.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.048 1.339 . . . . 0.0 111.981 -173.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . -171.05 177.52 43.97 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.913 1.244 . . . . 0.0 114.532 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.94 171.23 18.55 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.474 3.449 . . . . 0.0 112.076 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 67.2 m -124.2 130.63 52.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.086 1.354 . . . . 0.0 110.802 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 3.6 t 67.07 -171.48 0.19 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.948 1.699 . . . . 0.0 113.155 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.468 1.509 . . . . 0.0 112.825 -179.117 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.265 0.078 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.46 30.25 0.28 Allowed Glycine 0 N--CA 1.476 1.362 0 N-CA-C 115.472 0.949 . . . . 0.0 115.472 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? 60.1 70.79 0.61 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.547 1.939 . . . . 0.0 111.459 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.43 -164.65 53.5 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.568 1.08 . . . . 0.0 112.059 -176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.59 HH32 ' HB3' ' B' ' 129' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 148.91 7.71 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 126.552 2.025 . . . . 0.0 112.283 175.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.55 109.86 3.37 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 124.186 0.898 . . . . 0.0 111.212 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -83.96 171.44 12.99 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.631 1.172 . . . . 0.0 112.03 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.06 157.67 46.17 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.206 0.907 . . . . 0.0 112.141 169.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.331 0 C-N-CA 125.985 1.714 . . . . 0.0 111.81 -169.883 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.442 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m 72.92 165.25 0.29 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.111 2.165 . . . . 0.0 113.391 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -138.17 121.31 16.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.693 1.197 . . . . 0.0 109.945 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 -129.18 14.21 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.993 0.806 . . . . 0.0 111.928 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 74.6 m -138.01 174.39 10.61 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.136 1.774 . . . . 0.0 111.078 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 21.6 t -151.73 158.6 43.59 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.778 -1.201 . . . . 0.0 111.343 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.09 92.92 Favored Glycine 0 N--CA 1.47 0.961 0 O-C-N 121.274 -0.891 . . . . 0.0 112.752 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.52 -38.8 85.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.244 1.018 . . . . 0.0 112.402 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -22.06 61.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.702 1.201 . . . . 0.0 112.446 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.29 -38.74 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.91 0.884 . . . . 0.0 111.524 171.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.21 -45.09 65.09 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.938 0.79 . . . . 0.0 110.758 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.42 -27.13 68.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.502 0.721 . . . . 0.0 112.362 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -68.02 -50.55 54.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.085 0.857 . . . . 0.0 110.214 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.86 -39.93 86.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.68 1.192 . . . . 0.0 111.964 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -70.33 -49.38 49.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.809 1.244 . . . . 0.0 111.633 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.1 -37.68 80.7 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.614 1.097 . . . . 0.0 112.349 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.69 -19.43 64.38 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -88.9 -29.55 19.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.0 0.92 . . . . 0.0 112.022 173.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.17 -30.91 71.47 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.155 1.343 . . . . 0.0 111.653 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -68.71 -18.22 64.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -82.21 -0.44 45.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.007 . . . . 0.0 112.629 172.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -106.13 2.87 27.42 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.599 1.56 . . . . 0.0 113.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -122.91 101.31 7.36 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.877 1.671 . . . . 0.0 109.887 170.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t -102.6 -0.08 32.52 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.91 1.284 . . . . 0.0 114.366 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.69 -10.86 54.98 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.196 1.379 . . . . 0.0 114.03 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 58.3 28.11 16.21 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.626 1.97 . . . . 0.0 113.455 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.91 -32.05 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.178 1.391 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -115.06 -15.63 11.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.574 1.549 . . . . 0.0 111.885 -177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 44.9 m -53.79 -27.76 31.05 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.31 150.94 66.03 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 126.457 1.903 . . . . 0.0 112.197 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.31 153.44 78.26 Favored 'Trans proline' 0 CA--C 1.539 0.755 1 C-N-CA 125.409 4.072 . . . . 0.0 112.738 -174.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 46.0 t -59.99 126.88 84.74 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.951 0.9 . . . . 0.0 110.008 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 111.6 2.96 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.29 2.66 . . . . 0.0 110.459 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.71 -18.87 62.8 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -59.53 -18.37 39.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.076 1.35 . . . . 0.0 113.815 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.93 8.56 10.49 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.277 1.431 . . . . 0.0 113.761 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 43.7 t -148.35 90.79 4.89 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.646 1.578 . . . . 0.0 110.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.63 -5.36 12.44 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.19 2.593 . . . . 0.0 113.006 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.21 6.28 26.54 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.647 1.579 . . . . 0.0 113.78 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.69 -43.6 85.24 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.831 -1.168 . . . . 0.0 112.25 -172.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.56 -18.97 61.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.21 1.404 . . . . 0.0 113.55 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.43 -12.54 59.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.501 1.12 . . . . 0.0 112.934 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -114.67 -26.25 7.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.839 1.256 . . . . 0.0 113.658 173.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mm -116.06 108.8 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.46 1.504 . . . . 0.0 110.009 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.91 -26.82 43.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.647 1.179 . . . . 0.0 113.54 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -129.17 72.51 81.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.086 1.754 . . . . 0.0 110.854 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.2 134.85 21.76 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.338 2.692 . . . . 0.0 111.105 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.419 ' HB2' HD23 ' B' ' 114' ' ' LEU . 2.9 tpt -147.53 159.28 43.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.011 1.324 . . . . 0.0 113.433 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -159.36 160.04 34.54 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.017 1.727 . . . . 0.0 111.348 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -55.53 -33.49 63.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.65 0.78 . . . . 0.0 112.88 173.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.05 -43.5 98.46 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.009 0.523 . . . . 0.0 111.405 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.2 m -64.22 -43.53 94.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.729 0.812 . . . . 0.0 111.246 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 83.8 mtp -61.52 -45.7 93.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.697 0.681 . . . . 0.0 112.008 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.82 -47.55 84.41 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.521 -0.737 . . . . 0.0 112.405 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -60.72 -43.42 97.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.706 0.803 . . . . 0.0 111.812 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.46 -40.68 97.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.829 0.852 . . . . 0.0 112.481 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.54 -41.79 79.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.23 -0.919 . . . . 0.0 111.651 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.8 -9.7 52.54 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.786 0.834 . . . . 0.0 113.101 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.45 8.48 35.67 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.18 1.792 . . . . 0.0 113.21 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 64.54 25.38 13.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.695 1.998 . . . . 0.0 114.268 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -64.36 -26.11 68.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.677 1.191 . . . . 0.0 113.607 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -91.77 103.18 15.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.479 1.112 . . . . 0.0 111.868 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.92 -10.82 22.29 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.053 1.341 . . . . 0.0 113.166 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -144.05 146.53 32.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.022 1.729 . . . . 0.0 110.028 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.49 -25.84 67.66 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 122.079 -0.388 . . . . 0.0 111.705 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.76 -22.35 66.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.786 1.634 . . . . 0.0 113.892 176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -92.36 -38.96 11.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.5 1.12 . . . . 0.0 111.537 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.66 -39.82 91.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.219 1.007 . . . . 0.0 112.243 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.73 -35.16 76.77 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.11 0.964 . . . . 0.0 111.719 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -79.16 -32.85 44.43 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.255 1.422 . . . . 0.0 112.227 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -68.25 -28.38 67.17 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.402 -0.811 . . . . 0.0 112.158 170.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.99 -42.47 66.43 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.777 0.717 . . . . 0.0 110.776 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -56.1 -34.54 66.13 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.905 -0.497 . . . . 0.0 111.626 172.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' B' ' 88' ' ' MET . 9.6 tp -64.08 -39.36 93.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.2 1.4 . . . . 0.0 112.635 177.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.23 -44.33 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.907 0.883 . . . . 0.0 110.579 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.83 -55.28 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.808 0.843 . . . . 0.0 110.577 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 89.7 p -64.83 -31.08 72.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.89 -32.01 73.27 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.07 -1.019 . . . . 0.0 112.76 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 22.3 t -71.64 -24.49 61.87 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.167 -0.958 . . . . 0.0 112.48 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.07 2.52 51.75 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.172 1.389 . . . . 0.0 112.668 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -118.33 -18.26 9.27 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.941 1.697 . . . . 0.0 114.885 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -139.55 82.59 1.89 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.403 1.481 . . . . 0.0 110.787 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -171.42 -179.03 2.48 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.21 1.804 . . . . 0.0 112.333 -169.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.71 158.11 26.17 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.826 1.65 . . . . 0.0 108.84 169.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.72 -2.17 19.29 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -124.02 6.95 8.59 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.429 1.492 . . . . 0.0 114.01 -172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 33.0 p -83.57 157.33 22.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.06 0.933 . . . . 0.0 113.355 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.9 tt -60.29 -40.62 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.292 1.037 . . . . 0.0 110.751 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.59 ' HB3' HH32 ' A' ' 5' ' ' ALY . 31.8 m-85 -66.35 -43.13 86.9 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.039 1.336 . . . . 0.0 112.41 -174.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -56.95 -48.71 77.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.292 1.037 . . . . 0.0 110.99 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -73.55 -26.37 60.82 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.1 79.84 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.73 1.15 . . . . 0.0 112.257 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.18 70.61 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.472 -0.768 . . . . 0.0 112.643 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.72 -40.73 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 0.0 110.577 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.3 -43.53 98.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 112.073 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.81 -44.57 93.93 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.827 0.851 . . . . 0.0 112.378 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -59.27 -31.69 69.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.912 0.885 . . . . 0.0 113.147 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -87.93 -64.25 1.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.068 1.347 . . . . 0.0 111.136 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.19 -45.83 65.82 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.371 0.668 . . . . 0.0 112.23 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.466 ' HA2' HG23 ' B' ' 143' ' ' VAL . . . -81.29 -12.24 82.41 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 118.444 0.566 . . . . 0.0 113.12 173.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.93 -37.3 94.44 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.35 94.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.726 0.763 . . . . 0.0 112.147 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.466 HG23 ' HA2' ' B' ' 140' ' ' GLY . 42.3 t -63.78 -36.8 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.159 0.983 . . . . 0.0 111.874 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.45 -38.17 68.34 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.672 0.789 . . . . 0.0 111.55 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -66.59 -48.7 68.72 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.245 1.018 . . . . 0.0 112.963 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -64.23 -35.88 82.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.373 1.069 . . . . 0.0 112.382 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -87.76 -26.29 22.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.744 0.818 . . . . 0.0 112.509 -169.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.11 -28.53 67.94 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.443 1.497 . . . . 0.0 112.198 169.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -63.11 -28.25 69.95 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.235 -0.915 . . . . 0.0 113.136 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.91 -21.95 62.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.244 1.018 . . . . 0.0 112.688 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 -41.71 11.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.81 1.244 . . . . 0.0 112.775 173.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.39 -27.54 63.4 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -25.7 68.47 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.138 -0.976 . . . . 0.0 113.518 174.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 3.7 mtm -69.27 -21.76 63.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.501 1.12 . . . . 0.0 112.893 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -111.78 24.62 14.64 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 126.721 2.105 . . . . 0.0 113.586 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 7.6 t -156.87 -173.17 4.34 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.903 1.281 . . . . 0.0 111.843 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 172.84 -177.45 45.35 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.072 1.32 . . . . 0.0 114.114 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.41 157.74 55.85 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 124.006 3.137 . . . . 0.0 111.778 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' SER . . . . . . . . . . . . . 20.3 m -79.6 15.54 1.3 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.229 1.412 . . . . 0.0 113.916 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 9.6 t -158.96 165.18 34.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.128 1.771 . . . . 0.0 111.38 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 C-N-CA 125.382 1.468 . . . . 0.0 112.943 -177.003 . . . . . . . . 0 0 . 1 stop_ save_